| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 50.9 | Low | 52.3 | Low | 228 Ų | 228 | 129.1 Ų | 129.1 | 100% | 1.123 | 66% | 0.662 | S | S | * | * | 0 | 10.5 | 0 | -69.7 | 162.1 | 79.5 | 0 | 0 | 114.2 | |||||
| 2 | S | 55.4 | Low | 52 | Low | 85 Ų | 85 | 127.7 Ų | 127.7 | 59% | 0.594 | 66% | 0.655 | S | S | * | * | trans | -85.4 | -38.8 | -174.1 | -166.8 | 0 | 0 | 0 | 0 | 114.9 | R4 V5 F6 | S2-R4 PolarHBondContact O-N 3.44Å; S2-V5 PolarHBondContact O-N 2.85Å; S2-F6 PolarHBondContact O-N 3.35Å | ||
| 3 | T | 50.1 | Low | 51.6 | Low | 116 Ų | 116 | 125.9 Ų | 125.9 | 71% | 0.712 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68.2 | -28.4 | -171.9 | 43.2 | 0 | 0 | 0 | 0 | 115.4 | L7 | T3-L7 PolarHBondContact O-N 3.17Å |
| 4 | R | 51.6 | Low | 51.2 | Low | 205 Ų | 205 | 128.9 Ų | 128.9 | 77% | 0.774 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -72.7 | -32.1 | 176.1 | -74.2 | -171.1 | 174.2 | -173.8 | -2.2 | 112.7 | S2 L7 F8 | S2-R4 PolarHBondContact O-N 3.44Å; R4-L7 PolarHBondContact O-N 3.23Å; R4-F8 WeakPolarHBondContact O-CD2 3.47Å; R4-F8 PolarHBondContact O-N 3.36Å |
| 5 | V | 54.3 | Low | 50.8 | Low | 90 Ų | 90 | 128.6 Ų | 128.6 | 55% | 0.545 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -69.6 | -40.1 | 179.4 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | S2 L7 F8 L9 | S2-V5 PolarHBondContact O-N 2.85Å; V5-L7 PolarHBondContact O-N 3.29Å; V5-F8 PolarHBondContact O-N 3.18Å; V5-L9 HydrophobicContact CG1-CD1 4.17Å; V5-L9 PolarHBondContact O-N 3.37Å |
| 6 | F | 50.8 | Low | 50.8 | Low | 142 Ų | 142 | 128 Ų | 128 | 62% | 0.623 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -62 | -39.4 | 174.5 | -107 | -87 | 0 | 0 | 0 | 113.4 | S2 L9 C10 | S2-F6 PolarHBondContact O-N 3.35Å; F6-L9 PolarHBondContact O-N 3.32Å; F6-C10 PolarHBondContact O-N 3.48Å; F6-C10 PolarHBondContact O-SG 3.26Å |
| 7 | L | 51.9 | Low | 50.3 | Low | 114 Ų | 114 | 125.8 Ų | 125.8 | 60% | 0.597 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -65.2 | -39.4 | 175.8 | -93 | 158.5 | 0 | 0 | 0 | 112.7 | T3 R4 V5 C10 L11 | T3-L7 PolarHBondContact O-N 3.17Å; R4-L7 PolarHBondContact O-N 3.23Å; V5-L7 PolarHBondContact O-N 3.29Å; L7-C10 PolarHBondContact O-N 3.37Å; L7-L11 WeakPolarHBondContact O-CG 3.36Å; L7-L11 PolarHBondContact O-N 2.99Å |
| 8 | F | 51.8 | Low | 50.2 | Low | 137 Ų | 137 | 125.1 Ų | 125.1 | 60% | 0.601 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -67.8 | -36.1 | 173.2 | -87.3 | -75.4 | 0 | 0 | 0 | 112.6 | R4 V5 L11 L12 | R4-F8 WeakPolarHBondContact O-CD2 3.47Å; R4-F8 PolarHBondContact O-N 3.36Å; V5-F8 PolarHBondContact O-N 3.18Å; F8-L11 PolarHBondContact O-N 3.19Å; F8-L12 VanDerWaalsContact O-CB 3.28Å; F8-L12 WeakPolarHBondContact O-CB 3.48Å; F8-L12 WeakPolarHBondContact O-CG 3.29Å; F8-L12 PolarHBondContact O-N 3.5Å |
| 9 | L | 53.2 | Low | 50.8 | Low | 104 Ų | 104 | 125.6 Ų | 125.6 | 55% | 0.545 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -64.9 | -37.3 | 173 | -87.9 | 156.9 | 0 | 0 | 0 | 112.8 | V5 F6 L12 C13 | V5-L9 HydrophobicContact CG1-CD1 4.17Å; V5-L9 PolarHBondContact O-N 3.37Å; F6-L9 PolarHBondContact O-N 3.32Å; L9-L12 CarbonylContact O-C 3.6Å; L9-L12 PolarHBondContact O-N 2.93Å; L9-C13 WeakPolarHBondContact O-CB 3.39Å; L9-C13 PolarHBondContact O-N 2.98Å |
| 10 | C | 53.6 | Low | 51.8 | Low | 81 Ų | 81 | 127.7 Ų | 127.7 | 55% | 0.547 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -69.3 | -39.6 | 173.7 | -69.6 | 0 | 0 | 0 | 0 | 112.7 | F6 L7 L12 C13 | F6-C10 PolarHBondContact O-N 3.48Å; F6-C10 PolarHBondContact O-SG 3.26Å; L7-C10 PolarHBondContact O-N 3.37Å; C10-L12 VanDerWaalsContact C-N 3.31Å; C10-C13 PolarHBondContact O-N 3.26Å; C10-C13 VanDerWaalsContact O-N 3.1Å |
| 11 | L | 51.7 | Low | 53.3 | Low | 118 Ų | 118 | 122.2 Ų | 122.2 | 62% | 0.618 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.3 | -32.9 | 174.8 | -73.5 | 163.8 | 0 | 0 | 0 | 112.1 | L7 F8 C13 | L7-L11 WeakPolarHBondContact O-CG 3.36Å; L7-L11 PolarHBondContact O-N 2.99Å; F8-L11 PolarHBondContact O-N 3.19Å; L11-C13 VanDerWaalsContact C-N 3.29Å |
| 12 | L | 48.8 | Very low | 55.1 | Low | 112 Ų | 112 | 114.5 Ų | 114.5 | 59% | 0.586 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 14.7 | 170.4 | -68.3 | 165.2 | 0 | 0 | 0 | 113.4 | F8 L9 C10 I15 | F8-L12 VanDerWaalsContact O-CB 3.28Å; F8-L12 WeakPolarHBondContact O-CB 3.48Å; F8-L12 WeakPolarHBondContact O-CG 3.29Å; F8-L12 PolarHBondContact O-N 3.5Å; L9-L12 CarbonylContact O-C 3.6Å; L9-L12 PolarHBondContact O-N 2.93Å; C10-L12 VanDerWaalsContact C-N 3.31Å; L12-I15 WeakPolarHBondContact O-CD1 3.44Å; L12-I15 WeakPolarHBondContact O-CG1 3.35Å |
| 13 | C | 46.2 | Very low | 57 | Low | 105 Ų | 105 | 110.6 Ų | 110.6 | 71% | 0.709 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | -2.8 | 165.8 | -136.3 | 0 | 0 | 0 | 0 | 111.8 | L9 C10 L11 I15 | L9-C13 WeakPolarHBondContact O-CB 3.39Å; L9-C13 PolarHBondContact O-N 2.98Å; C10-C13 PolarHBondContact O-N 3.26Å; C10-C13 VanDerWaalsContact O-N 3.1Å; L11-C13 VanDerWaalsContact C-N 3.29Å; C13-I15 PolarHBondContact O-N 3.36Å |
| 14 | Q | 46.2 | Very low | 59.2 | Low | 167 Ų | 167 | 108.1 Ų | 108.1 | 78% | 0.78 | 56% | 0.557 | S | S | * | * | trans | -81.8 | 18.6 | 165.1 | -64.8 | -78.6 | -63.8 | 0 | 0 | 111.7 | V16 | Q14-V16 VanDerWaalsContact C-N 3.33Å; Q14-V16 PolarHBondContact O-N 3Å | ||
| 15 | I | 46.2 | Very low | 61.4 | Low | 125 Ų | 125 | 98.6 Ų | 98.6 | 64% | 0.641 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -67.6 | 98.9 | 172.1 | -51.2 | 171.3 | 0 | 0 | 0 | 106.9 | L12 C13 A17 | L12-I15 WeakPolarHBondContact O-CD1 3.44Å; L12-I15 WeakPolarHBondContact O-CG1 3.35Å; C13-I15 PolarHBondContact O-N 3.36Å; I15-A17 PolarHBondContact O-N 3.3Å |
| 16 | V | 50.2 | Low | 63.4 | Low | 119 Ų | 119 | 96.1 Ų | 96.1 | 72% | 0.721 | 51% | 0.505 | S | S | * | . | trans | 23.8 | 84 | 160.2 | -171 | 0 | 0 | 0 | 0 | 112.1 | Q14 Q18 | Q14-V16 VanDerWaalsContact C-N 3.33Å; Q14-V16 PolarHBondContact O-N 3Å; V16-Q18 PolarHBondContact O-N 3.5Å | ||
| 17 | A | 42.8 | Very low | 65.7 | Low | 90 Ų | 90 | 89.4 Ų | 89.4 | 74% | 0.744 | 48% | 0.476 | S | S | * | . | trans | -55.3 | 104.1 | 153.8 | 0 | 0 | 0 | 0 | 0 | 105.4 | I15 E19 | I15-A17 PolarHBondContact O-N 3.3Å; A17-E19 PolarHBondContact O-N 2.98Å | ||
| 18 | Q | 47.2 | Very low | 67.8 | Low | 114 Ų | 114 | 85.2 Ų | 85.2 | 53% | 0.533 | 45% | 0.454 | S | S | . | . | trans | -71.2 | 84.4 | 176.8 | 176.7 | 144.4 | 41.5 | 0 | 0 | 106.1 | V16 Y20 | V16-Q18 PolarHBondContact O-N 3.5Å; Q18-Y20 WeakPolarHBondContact O-CD2 3.26Å; Q18-Y20 WeakPolarHBondContact O-CE2 3.5Å; Q18-Y20 PolarHBondContact O-N 3.3Å; Q18-Y20 VanDerWaalsContact O-N 3.12Å | ||
| 19 | E | 62.7 | Low | 69.9 | Low | 135 Ų | 135 | 78.8 Ų | 78.8 | 63% | 0.631 | 43% | 0.426 | S | S | * | . | trans | -57.4 | 119.1 | 178.3 | -99.7 | -175.2 | 119.6 | 0 | 0 | 108.4 | A17 Q40 | A17-E19 PolarHBondContact O-N 2.98Å; E19-Q40 PolarHBondContact OE1-NE2 3.24Å | ||
| 20 | Y | 69.8 | Low | 71.9 | Confident | 166 Ų | 166 | 75.3 Ų | 75.3 | 65% | 0.651 | 41% | 0.408 | S | S | * | . | trans | -69.6 | 135.6 | 178.3 | -62.8 | -91.4 | 0 | 0 | 0 | 107.9 | Q18 D22 Y98 | Q18-Y20 WeakPolarHBondContact O-CD2 3.26Å; Q18-Y20 WeakPolarHBondContact O-CE2 3.5Å; Q18-Y20 PolarHBondContact O-N 3.3Å; Q18-Y20 VanDerWaalsContact O-N 3.12Å; Y20-D22 PolarHBondContact O-N 3.2Å; Y20-Y98 AromaticContact CD1-CD1 3.7Å; Y20-Y98 HydrophobicContact CD1-CD1 3.7Å; Y20-Y98 AromaticContact CD1-CE1 3.49Å; Y20-Y98 HydrophobicContact CD1-CE1 3.49Å; Y20-Y98 VanDerWaalsContact CD1-CE1 3.49Å; Y20-Y98 HydrophobicContact CE1-CD1 4.43Å; Y20-Y98 AromaticContact CE1-CE1 3.96Å; Y20-Y98 HydrophobicContact CE1-CE1 3.96Å | ||
| 21 | P | 83.2 | Confident | 73.9 | Confident | 14 Ų | 14 | 77.3 Ų | 77.3 | 9% | 0.091 | 41% | 0.409 | C | S | . | . | trans | -65.1 | 105.7 | -177.6 | 27.1 | -35.2 | 0 | 0 | 0 | 110 | V23 Y47 L91 Y98 | P21-V23 PolarHBondContact O-N 2.89Å; P21-Y47 HydrophobicContact CB-CE2 3.95Å; P21-Y47 HydrophobicContact CG-CE1 4.43Å; P21-Y47 HydrophobicContact CG-CE2 4.01Å; P21-L91 HydrophobicContact CB-CD1 3.86Å; P21-L91 HydrophobicContact CG-CD1 3.84Å; P21-Y98 HydrophobicContact CG-CD2 3.67Å; P21-Y98 HydrophobicContact CG-CE2 4.08Å; P21-Y98 HydrophobicContact CG-CG 3.92Å | ||
| 22 | D | 90.3 | Very high | 76.1 | Confident | 65 Ų | 65 | 72.7 Ų | 72.7 | 35% | 0.348 | 39% | 0.387 | S | S | . | . | trans | -78.5 | 109.5 | -177.3 | -168.1 | 45.7 | 0 | 0 | 0 | 111.3 | Y20 L39 K100 | Y20-D22 PolarHBondContact O-N 3.2Å; D22-L39 HydrophobicContact CB-CD1 4.46Å; D22-K100 VanDerWaalsContact CG-NZ 3.27Å; D22-K100 IonicContact OD1-NZ 3.35Å; D22-K100 PolarHBondContact OD1-NZ 2.84Å; D22-K100 IonicContact OD2-NZ 3.22Å; D22-K100 PolarHBondContact OD2-NZ 3.3Å; D22-K100 VanDerWaalsContact OD2-NZ 3.15Å | ||
| 23 | V | 95.4 | Very high | 78.4 | Confident | 3 Ų | 3 | 67.4 Ų | 67.4 | 2% | 0.018 | 36% | 0.359 | C | S | . | . | trans | -75.7 | 133.1 | 175 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | P21 C35 M36 W37 F49 T89 L91 K100 H102 | P21-V23 PolarHBondContact O-N 2.89Å; V23-C35 HydrophobicContact CG1-CB 4.04Å; V23-M36 CarbonylContact C-O 3.59Å; V23-M36 WeakPolarHBondContact CA-O 3.39Å; V23-W37 HydrophobicContact CG2-CB 4.28Å; V23-F49 HydrophobicContact CG1-CE2 4.33Å; V23-T89 HydrophobicContact CG1-CG2 4.3Å; V23-L91 HydrophobicContact CG2-CD1 3.64Å; V23-L91 HydrophobicContact CG2-CG 3.86Å; V23-K100 WeakPolarHBondContact O-CD 3.08Å; V23-K100 WeakPolarHBondContact O-CE 3.19Å; V23-K100 PolarHBondContact O-NZ 3.49Å; V23-H102 PolarHBondContact O-CE1 2.77Å; V23-H102 VanDerWaalsContact O-CE1 3.29Å | ||
| 24 | T | 95.9 | Very high | 80.8 | Confident | 65 Ų | 65 | 67.1 Ų | 67.1 | 40% | 0.399 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 125.3 | 168.8 | -69.2 | 0 | 0 | 0 | 0 | 109.5 | C35 M36 | T24-C35 CarbonylContact O-C 3.46Å; T24-C35 VanDerWaalsContact O-CA 3.31Å; T24-C35 WeakPolarHBondContact O-CA 3.42Å; T24-M36 PolarHBondContact N-O 3.49Å; T24-M36 PolarHBondContact O-N 3.03Å |
| 25 | C | 96.8 | Very high | 83.3 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 3% | 0.034 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 141.5 | 179.2 | -62.2 | 0 | 0 | 0 | 0 | 112.3 | I33 R34 C35 T89 L104 | C25-I33 HydrophobicContact CB-CG2 4.29Å; C25-R34 CarbonylContact C-O 3.46Å; C25-R34 WeakPolarHBondContact CA-O 3.34Å; C25-C35 HydrophobicContact CB-CB 4.18Å; C25-C35 WeakPolarHBondContact CB-SG 3.37Å; C25-C35 WeakPolarHBondContact SG-CB 3.42Å; C25-C35 CovalentContact SG-SG 2.05Å; C25-C35 PolarHBondContact SG-SG 3.44Å; C25-T89 VanDerWaalsContact SG-CG2 3.59Å; C25-L104 HydrophobicContact CB-CD2 3.84Å |
| 26 | L | 97.1 | Very high | 85.7 | Confident | 38 Ų | 38 | 56.7 Ų | 56.7 | 20% | 0.199 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 129 | -179.3 | -175 | 69.5 | 0 | 0 | 0 | 109.6 | I28 R34 K107 K109 F192 | L26-I28 HydrophobicContact CB-CD1 4.3Å; L26-I28 HydrophobicContact CD2-CD1 3.7Å; L26-I28 HydrophobicContact CG-CD1 3.88Å; L26-I28 PolarHBondContact O-N 3.46Å; L26-R34 PolarHBondContact N-O 3.04Å; L26-R34 PolarHBondContact O-N 3.37Å; L26-K107 HydrophobicContact CD1-CB 4.29Å; L26-K107 WeakPolarHBondContact CD1-O 3.39Å; L26-K109 HydrophobicContact CD1-CB 4.31Å; L26-K109 HydrophobicContact CD2-CB 3.91Å; L26-K109 HydrophobicContact CG-CB 4.26Å; L26-F192 HydrophobicContact CD1-CD2 3.53Å; L26-F192 HydrophobicContact CD1-CE2 3.5Å; L26-F192 VanDerWaalsContact CD1-CE2 3.5Å; L26-F192 HydrophobicContact CD1-CG 4.22Å; L26-F192 HydrophobicContact CD1-CZ 4.17Å |
| 27 | V | 97.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 120.3 | 171.9 | -172.9 | 0 | 0 | 0 | 0 | 108.6 | L30 S32 I33 Y78 L104 K107 V108 K109 | V27-L30 HydrophobicContact CG1-CD2 4.04Å; V27-S32 CarbonylContact C-O 3.58Å; V27-I33 HydrophobicContact CG2-CG1 4.35Å; V27-Y78 HydrophobicContact CG1-CD2 3.47Å; V27-Y78 VanDerWaalsContact CG1-CD2 3.47Å; V27-Y78 HydrophobicContact CG1-CE2 3.57Å; V27-Y78 HydrophobicContact CG1-CG 4.13Å; V27-Y78 HydrophobicContact CG2-CD2 4.3Å; V27-Y78 HydrophobicContact CG2-CE2 4.14Å; V27-L104 HydrophobicContact CG2-CB 4.22Å; V27-L104 HydrophobicContact CG2-CD1 4.41Å; V27-K107 WeakPolarHBondContact CB-O 3.15Å; V27-K107 PolarHBondContact N-O 3.38Å; V27-V108 HydrophobicContact CB-CB 4.36Å; V27-V108 HydrophobicContact CB-CG1 4.22Å; V27-V108 HydrophobicContact CB-CG2 4.04Å; V27-V108 HydrophobicContact CG1-CG1 4.29Å; V27-V108 HydrophobicContact CG2-CG2 4.34Å; V27-V108 CarbonylContact O-C 3.55Å; V27-V108 WeakPolarHBondContact O-CA 3.4Å; V27-K109 PolarHBondContact O-N 2.91Å |
| 28 | I | 97.2 | Very high | 90.2 | Very high | 26 Ų | 26 | 48.5 Ų | 48.5 | 13% | 0.133 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 117.4 | -179.6 | -49.8 | -58.5 | 0 | 0 | 0 | 108.8 | L26 L30 E31 S32 R34 | L26-I28 HydrophobicContact CB-CD1 4.3Å; L26-I28 HydrophobicContact CD2-CD1 3.7Å; L26-I28 HydrophobicContact CG-CD1 3.88Å; L26-I28 PolarHBondContact O-N 3.46Å; I28-L30 PolarHBondContact O-N 3.46Å; I28-E31 PolarHBondContact O-N 3.35Å; I28-S32 PolarHBondContact N-O 2.99Å; I28-S32 PolarHBondContact O-N 3.36Å; I28-R34 HydrophobicContact CD1-CB 4.35Å; I28-R34 HydrophobicContact CG1-CB 3.85Å |
| 29 | N | 96.1 | Very high | 92.1 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 18.5 | 177.3 | -154.3 | 50 | 0 | 0 | 0 | 116.8 | E31 K109 N111 T133 V134 | N29-E31 HydrophobicContact CB-CG 4.36Å; N29-E31 PolarHBondContact ND2-OE1 2.95Å; N29-E31 PolarHBondContact O-N 3.24Å; N29-K109 PolarHBondContact N-O 2.83Å; N29-N111 HydrophobicContact CB-CB 4.26Å; N29-N111 WeakPolarHBondContact CB-ND2 3.4Å; N29-N111 VanDerWaalsContact CG-ND2 3.26Å; N29-N111 PolarHBondContact ND2-ND2 2.93Å; N29-N111 WeakPolarHBondContact OD1-CB 2.88Å; N29-N111 PolarHBondContact OD1-N 2.95Å; N29-T133 PolarHBondContact OD1-OG1 3.31Å; N29-V134 VanDerWaalsContact O-CG2 3.28Å; N29-V134 WeakPolarHBondContact O-CG2 3.45Å |
| 30 | L | 95.3 | Very high | 93.2 | Very high | 31 Ų | 31 | 46.9 Ų | 46.9 | 16% | 0.162 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 27.4 | -169.5 | -55.5 | 170.7 | 0 | 0 | 0 | 113.5 | V27 I28 Y78 V108 L110 V134 L136 L183 | V27-L30 HydrophobicContact CG1-CD2 4.04Å; I28-L30 PolarHBondContact O-N 3.46Å; L30-Y78 HydrophobicContact CB-CD1 4.3Å; L30-Y78 HydrophobicContact CB-CE1 4.01Å; L30-Y78 HydrophobicContact CD2-CE1 4Å; L30-Y78 HydrophobicContact CD2-CE2 4.34Å; L30-Y78 WeakPolarHBondContact O-CD1 3.48Å; L30-V108 HydrophobicContact CD2-CG1 3.74Å; L30-V108 HydrophobicContact CD2-CG2 4.25Å; L30-V108 HydrophobicContact CG-CG1 4.04Å; L30-L110 HydrophobicContact CD1-CD2 4.47Å; L30-L110 HydrophobicContact CG-CD2 4.4Å; L30-V134 HydrophobicContact CD1-CG1 4.13Å; L30-L136 HydrophobicContact CD1-CD1 3.48Å; L30-L136 VanDerWaalsContact CD1-CD1 3.48Å; L30-L183 HydrophobicContact CD1-CD1 4.14Å; L30-L183 HydrophobicContact CD1-CD2 4.35Å; L30-L183 HydrophobicContact CD2-CD1 4.23Å |
| 31 | E | 95.9 | Very high | 94 | Very high | 123 Ų | 123 | 40.7 Ų | 40.7 | 58% | 0.575 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | -35.4 | 178.5 | -70.3 | 165.9 | -166.5 | 0 | 0 | 112.2 | I28 N29 Y78 | I28-E31 PolarHBondContact O-N 3.35Å; N29-E31 HydrophobicContact CB-CG 4.36Å; N29-E31 PolarHBondContact ND2-OE1 2.95Å; N29-E31 PolarHBondContact O-N 3.24Å; E31-Y78 VanDerWaalsContact C-CB 3.45Å; E31-Y78 WeakPolarHBondContact O-CB 3.34Å; E31-Y78 PolarHBondContact O-N 3Å |
| 32 | S | 96.5 | Very high | 94.2 | Very high | 21 Ų | 21 | 41.7 Ų | 41.7 | 15% | 0.147 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 155.6 | -178.5 | 56.3 | 0 | 0 | 0 | 0 | 112.1 | V27 I28 L76 | V27-S32 CarbonylContact C-O 3.58Å; I28-S32 PolarHBondContact N-O 2.99Å; I28-S32 PolarHBondContact O-N 3.36Å; S32-L76 CarbonylContact C-O 3.5Å; S32-L76 VanDerWaalsContact CA-O 3.23Å; S32-L76 WeakPolarHBondContact CA-O 3.49Å; S32-L76 VanDerWaalsContact CB-O 3.22Å; S32-L76 WeakPolarHBondContact CB-O 3.31Å |
| 33 | I | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 126.5 | 166.6 | -57.3 | 173.5 | 0 | 0 | 0 | 107.3 | C25 V27 T75 L76 Y78 Q82 F87 L104 | C25-I33 HydrophobicContact CB-CG2 4.29Å; V27-I33 HydrophobicContact CG2-CG1 4.35Å; I33-T75 WeakPolarHBondContact O-CA 3.08Å; I33-L76 HydrophobicContact CB-CB 4.32Å; I33-L76 PolarHBondContact N-O 3.15Å; I33-L76 PolarHBondContact O-N 2.7Å; I33-Y78 HydrophobicContact CD1-CD2 4.37Å; I33-Y78 HydrophobicContact CG1-CD2 4.03Å; I33-Q82 HydrophobicContact CD1-CB 4.31Å; I33-F87 HydrophobicContact CD1-CE2 4.09Å; I33-F87 HydrophobicContact CD1-CZ 4.32Å; I33-F87 HydrophobicContact CG2-CE1 4.45Å; I33-F87 HydrophobicContact CG2-CZ 4.44Å; I33-L104 HydrophobicContact CD1-CD1 3.7Å; I33-L104 HydrophobicContact CG1-CD1 4.42Å; I33-L104 HydrophobicContact CG2-CD1 4.43Å |
| 34 | R | 97.6 | Very high | 93.9 | Very high | 99 Ų | 99 | 46.2 Ų | 46.2 | 37% | 0.374 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 117 | 173.5 | -174.6 | 173.5 | -62.8 | 165 | 7.4 | 109.4 | C25 L26 I28 M36 L65 C74 | C25-R34 CarbonylContact C-O 3.46Å; C25-R34 WeakPolarHBondContact CA-O 3.34Å; L26-R34 PolarHBondContact N-O 3.04Å; L26-R34 PolarHBondContact O-N 3.37Å; I28-R34 HydrophobicContact CD1-CB 4.35Å; I28-R34 HydrophobicContact CG1-CB 3.85Å; R34-M36 HydrophobicContact CG-CG 4.19Å; R34-L65 HydrophobicContact CG-CD1 3.87Å; R34-C74 WeakPolarHBondContact CA-O 3.38Å |
| 35 | C | 97.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 136.6 | 172.6 | -61.2 | 0 | 0 | 0 | 0 | 109.4 | V23 T24 C25 F49 G73 C74 | V23-C35 HydrophobicContact CG1-CB 4.04Å; T24-C35 CarbonylContact O-C 3.46Å; T24-C35 VanDerWaalsContact O-CA 3.31Å; T24-C35 WeakPolarHBondContact O-CA 3.42Å; C25-C35 HydrophobicContact CB-CB 4.18Å; C25-C35 WeakPolarHBondContact CB-SG 3.37Å; C25-C35 WeakPolarHBondContact SG-CB 3.42Å; C25-C35 CovalentContact SG-SG 2.05Å; C25-C35 PolarHBondContact SG-SG 3.44Å; C35-F49 HydrophobicContact CB-CE2 3.82Å; C35-F49 HydrophobicContact CB-CZ 3.97Å; C35-G73 CarbonylContact O-C 3.6Å; C35-G73 WeakPolarHBondContact O-CA 3.19Å; C35-C74 PolarHBondContact N-O 2.95Å; C35-C74 PolarHBondContact O-N 2.78Å |
| 36 | M | 96.8 | Very high | 93.4 | Very high | 73 Ų | 73 | 49.1 Ų | 49.1 | 36% | 0.36 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 151.8 | 177.6 | -49.2 | -161.7 | -40.3 | 0 | 0 | 110.6 | V23 T24 R34 I72 | V23-M36 CarbonylContact C-O 3.59Å; V23-M36 WeakPolarHBondContact CA-O 3.39Å; T24-M36 PolarHBondContact N-O 3.49Å; T24-M36 PolarHBondContact O-N 3.03Å; R34-M36 HydrophobicContact CG-CG 4.19Å; M36-I72 WeakPolarHBondContact CA-O 3.47Å |
| 37 | W | 95.3 | Very high | 93.3 | Very high | 5 Ų | 5 | 48.4 Ų | 48.4 | 2% | 0.019 | 25% | 0.249 | C | C | . | . | trans | -138.5 | 31.1 | -179.1 | 53.8 | 82 | 0 | 0 | 0 | 111.9 | V23 Y47 F49 Y64 N71 I72 G73 C74 L91 | V23-W37 HydrophobicContact CG2-CB 4.28Å; W37-Y47 AromaticContact NE1-CD2 3.96Å; W37-F49 HydrophobicContact CE3-CD2 4.06Å; W37-F49 HydrophobicContact CH2-CB 3.71Å; W37-F49 AromaticContact CH2-CD2 3.98Å; W37-F49 HydrophobicContact CH2-CD2 3.98Å; W37-F49 HydrophobicContact CH2-CG 4.1Å; W37-F49 HydrophobicContact CZ3-CB 4Å; W37-F49 AromaticContact CZ3-CD2 3.34Å; W37-F49 HydrophobicContact CZ3-CD2 3.34Å; W37-F49 HydrophobicContact CZ3-CE2 4.05Å; W37-F49 AromaticContact CZ3-CG 3.9Å; W37-F49 HydrophobicContact CZ3-CG 3.9Å; W37-Y64 HydrophobicContact CH2-CD1 4.19Å; W37-Y64 HydrophobicContact CH2-CE1 4.17Å; W37-Y64 HydrophobicContact CZ2-CD1 4.38Å; W37-Y64 HydrophobicContact CZ2-CE1 4.42Å; W37-N71 HydrophobicContact CZ2-CB 4.05Å; W37-N71 PolarHBondContact NE1-O 3.34Å; W37-I72 VanDerWaalsContact CE2-C 3.48Å; W37-I72 PolarHBondContact N-O 3.44Å; W37-G73 VanDerWaalsContact CH2-CA 3.43Å; W37-G73 WeakPolarHBondContact CH2-O 3.39Å; W37-G73 VanDerWaalsContact CZ3-C 3.46Å; W37-G73 VanDerWaalsContact CZ3-CA 3.4Å; W37-C74 HydrophobicContact CH2-CB 4.2Å; W37-C74 HydrophobicContact CZ3-CB 4.12Å; W37-L91 HydrophobicContact CB-CD1 3.93Å; W37-L91 HydrophobicContact CD2-CD1 4.09Å; W37-L91 HydrophobicContact CD2-CD2 3.84Å; W37-L91 HydrophobicContact CE3-CD2 3.81Å; W37-L91 HydrophobicContact CG-CD1 3.82Å; W37-L91 HydrophobicContact CG-CD2 4.45Å; W37-L91 HydrophobicContact CH2-CD2 4.13Å; W37-L91 HydrophobicContact CZ2-CD2 4.17Å; W37-L91 HydrophobicContact CZ3-CD2 3.97Å | ||
| 38 | N | 93.1 | Very high | 93.2 | Very high | 33 Ų | 33 | 51 Ų | 51 | 18% | 0.176 | 27% | 0.265 | C | S | . | . | trans | -109.5 | 25.1 | 179.2 | 69.9 | -33 | 0 | 0 | 0 | 113.6 | Q40 G41 I72 | N38-Q40 PolarHBondContact O-N 3.47Å; N38-G41 CarbonylContact C-O 3.54Å; N38-G41 VanDerWaalsContact CA-O 3.25Å; N38-G41 WeakPolarHBondContact CA-O 3.38Å; N38-G41 WeakPolarHBondContact CB-O 3.27Å; N38-G41 WeakPolarHBondContact O-CA 3.45Å; N38-G41 PolarHBondContact O-N 2.93Å; N38-I72 HydrophobicContact CB-CB 3.84Å; N38-I72 HydrophobicContact CB-CG2 3.81Å | ||
| 39 | L | 87.6 | Confident | 93.2 | Very high | 113 Ų | 113 | 49.8 Ų | 49.8 | 59% | 0.592 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -32.8 | 179.1 | -70 | 174.3 | 0 | 0 | 0 | 112.8 | D22 G41 | D22-L39 HydrophobicContact CB-CD1 4.46Å; L39-G41 VanDerWaalsContact C-N 3.31Å |
| 40 | Q | 85.7 | Confident | 93.2 | Very high | 102 Ų | 102 | 51.5 Ų | 51.5 | 48% | 0.477 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 11.8 | 173.5 | -66.9 | 139.8 | -8.8 | 0 | 0 | 112.8 | E19 N38 | E19-Q40 PolarHBondContact OE1-NE2 3.24Å; N38-Q40 PolarHBondContact O-N 3.47Å |
| 41 | G | 86 | Confident | 93.3 | Very high | 36 Ų | 36 | 50.2 Ų | 50.2 | 37% | 0.371 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 96.5 | -171.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N38 L39 | N38-G41 CarbonylContact C-O 3.54Å; N38-G41 VanDerWaalsContact CA-O 3.25Å; N38-G41 WeakPolarHBondContact CA-O 3.38Å; N38-G41 WeakPolarHBondContact CB-O 3.27Å; N38-G41 WeakPolarHBondContact O-CA 3.45Å; N38-G41 PolarHBondContact O-N 2.93Å; L39-G41 VanDerWaalsContact C-N 3.31Å |
| 42 | T | 88.6 | Confident | 93.3 | Very high | 34 Ų | 34 | 48.7 Ų | 48.7 | 21% | 0.209 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -61.3 | 125.4 | -179.2 | -38.5 | 0 | 0 | 0 | 0 | 110.5 | E67 N68 R70 I72 | T42-E67 PolarHBondContact OG1-OE2 3.32Å; T42-N68 HydrophobicContact CG2-CB 4.44Å; T42-N68 PolarHBondContact OG1-ND2 3.48Å; T42-R70 HydrophobicContact CG2-CB 3.87Å; T42-R70 HydrophobicContact CG2-CG 4.43Å; T42-I72 HydrophobicContact CG2-CG2 4.11Å |
| 43 | P | 89.9 | Confident | 93.1 | Very high | 16 Ų | 16 | 48.3 Ų | 48.3 | 10% | 0.104 | 25% | 0.245 | C | C | . | . | trans | -63.3 | 160.2 | -176.3 | 27.3 | -35.2 | 0 | 0 | 0 | 111.4 | Y47 R70 N71 | P43-Y47 HydrophobicContact CB-CD2 4.33Å; P43-Y47 HydrophobicContact CB-CE2 3.93Å; P43-R70 WeakPolarHBondContact O-CD 3.4Å; P43-R70 VanDerWaalsContact O-CZ 3.31Å; P43-R70 PolarHBondContact O-NE 2.77Å; P43-R70 PolarHBondContact O-NH1 3.46Å; P43-N71 VanDerWaalsContact CG-O 3.27Å; P43-N71 WeakPolarHBondContact CG-O 3.42Å | ||
| 44 | Q | 87.4 | Confident | 92.7 | Very high | 147 Ų | 147 | 58.5 Ų | 58.5 | 69% | 0.687 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -80.7 | -19.3 | -179 | -64.4 | -59.1 | -12.9 | 0 | 0 | 114.8 | R70 | Q44-R70 VanDerWaalsContact O-CZ 3.3Å; Q44-R70 PolarHBondContact O-NH2 2.89Å; Q44-R70 VanDerWaalsContact O-NH2 3.08Å; Q44-R70 VanDerWaalsContact OE1-NH2 3.12Å |
| 45 | V | 90.1 | Very high | 91.9 | Very high | 46 Ų | 46 | 60.1 Ų | 60.1 | 28% | 0.279 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -128.5 | 161.8 | -177.6 | -62.5 | 0 | 0 | 0 | 0 | 110.6 | Y47 D93 | V45-Y47 HydrophobicContact CG2-CD1 3.95Å; V45-Y47 HydrophobicContact CG2-CD2 4.26Å; V45-Y47 HydrophobicContact CG2-CE1 3.4Å; V45-Y47 VanDerWaalsContact CG2-CE1 3.4Å; V45-Y47 HydrophobicContact CG2-CE2 3.79Å; V45-Y47 HydrophobicContact CG2-CG 4.33Å; V45-Y47 PolarHBondContact O-N 3.38Å; V45-D93 HydrophobicContact CG2-CB 4.23Å |
| 46 | N | 93.4 | Very high | 91.3 | Very high | 85 Ų | 85 | 62.1 Ų | 62.1 | 46% | 0.455 | 30% | 0.304 | S | S | . | . | trans | -91.8 | 93.9 | 173.9 | -86 | -20.7 | 0 | 0 | 0 | 110.4 | R70 N71 | N46-R70 WeakPolarHBondContact OD1-CA 3.34Å; N46-R70 WeakPolarHBondContact OD1-CB 3.37Å; N46-N71 PolarHBondContact OD1-N 3.28Å | ||
| 47 | Y | 94.2 | Very high | 90.9 | Very high | 23 Ų | 23 | 61.3 Ų | 61.3 | 9% | 0.09 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 143 | 173.7 | -62.8 | -65.5 | 0 | 0 | 0 | 112 | P21 W37 P43 V45 N71 L91 R92 D93 Y98 | P21-Y47 HydrophobicContact CB-CE2 3.95Å; P21-Y47 HydrophobicContact CG-CE1 4.43Å; P21-Y47 HydrophobicContact CG-CE2 4.01Å; W37-Y47 AromaticContact NE1-CD2 3.96Å; P43-Y47 HydrophobicContact CB-CD2 4.33Å; P43-Y47 HydrophobicContact CB-CE2 3.93Å; V45-Y47 HydrophobicContact CG2-CD1 3.95Å; V45-Y47 HydrophobicContact CG2-CD2 4.26Å; V45-Y47 HydrophobicContact CG2-CE1 3.4Å; V45-Y47 VanDerWaalsContact CG2-CE1 3.4Å; V45-Y47 HydrophobicContact CG2-CE2 3.79Å; V45-Y47 HydrophobicContact CG2-CG 4.33Å; V45-Y47 PolarHBondContact O-N 3.38Å; Y47-N71 PolarHBondContact O-ND2 3.14Å; Y47-L91 HydrophobicContact CD1-CB 4.05Å; Y47-L91 HydrophobicContact CD2-CD1 4.07Å; Y47-L91 HydrophobicContact CG-CB 4.04Å; Y47-L91 HydrophobicContact CG-CD1 4.19Å; Y47-L91 HydrophobicContact CG-CD2 4.39Å; Y47-L91 HydrophobicContact CG-CG 4.45Å; Y47-R92 WeakPolarHBondContact CA-O 3.43Å; Y47-D93 HydrophobicContact CD1-CB 3.68Å; Y47-D93 HydrophobicContact CE1-CB 3.62Å; Y47-Y98 HydrophobicContact CE1-CD2 4.07Å; Y47-Y98 AromaticContact CE1-CE2 3.76Å; Y47-Y98 HydrophobicContact CE1-CE2 3.76Å |
| 48 | T | 95.6 | Very high | 90.8 | Very high | 56 Ų | 56 | 66.1 Ų | 66.1 | 34% | 0.344 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 122.6 | 162.9 | -53.2 | 0 | 0 | 0 | 0 | 108.3 | Y50 R92 | T48-Y50 HydrophobicContact CG2-CD2 4.26Å; T48-Y50 HydrophobicContact CG2-CE2 3.46Å; T48-Y50 VanDerWaalsContact CG2-CE2 3.46Å; T48-R92 PolarHBondContact N-O 3.13Å; T48-R92 PolarHBondContact O-N 2.88Å |
| 49 | F | 97.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 133.7 | -178.1 | 175 | -79.3 | 0 | 0 | 0 | 111.4 | V23 C35 W37 C61 Y64 C74 L76 T89 E90 L91 | V23-F49 HydrophobicContact CG1-CE2 4.33Å; C35-F49 HydrophobicContact CB-CE2 3.82Å; C35-F49 HydrophobicContact CB-CZ 3.97Å; W37-F49 HydrophobicContact CE3-CD2 4.06Å; W37-F49 HydrophobicContact CH2-CB 3.71Å; W37-F49 AromaticContact CH2-CD2 3.98Å; W37-F49 HydrophobicContact CH2-CD2 3.98Å; W37-F49 HydrophobicContact CH2-CG 4.1Å; W37-F49 HydrophobicContact CZ3-CB 4Å; W37-F49 AromaticContact CZ3-CD2 3.34Å; W37-F49 HydrophobicContact CZ3-CD2 3.34Å; W37-F49 HydrophobicContact CZ3-CE2 4.05Å; W37-F49 AromaticContact CZ3-CG 3.9Å; W37-F49 HydrophobicContact CZ3-CG 3.9Å; F49-C61 HydrophobicContact CB-CB 4.04Å; F49-C61 HydrophobicContact CD1-CB 3.85Å; F49-C61 HydrophobicContact CG-CB 4.36Å; F49-C61 PolarHBondContact O-N 3.32Å; F49-Y64 HydrophobicContact CB-CE1 4.01Å; F49-Y64 PolarHBondContact N-OH 3.49Å; F49-C74 HydrophobicContact CD1-CB 3.81Å; F49-C74 HydrophobicContact CD2-CB 4.39Å; F49-C74 HydrophobicContact CE1-CB 4.07Å; F49-C74 HydrophobicContact CG-CB 3.98Å; F49-C74 HydrophobicContact CZ-CB 4.44Å; F49-L76 HydrophobicContact CE1-CD1 3.98Å; F49-L76 HydrophobicContact CE1-CD2 4.34Å; F49-L76 HydrophobicContact CE1-CG 4.46Å; F49-L76 HydrophobicContact CZ-CD1 4.33Å; F49-T89 HydrophobicContact CE2-CG2 3.73Å; F49-T89 HydrophobicContact CZ-CG2 3.6Å; F49-E90 WeakPolarHBondContact CA-O 3.34Å; F49-L91 HydrophobicContact CB-CD2 4.01Å; F49-L91 HydrophobicContact CD2-CD2 3.79Å; F49-L91 HydrophobicContact CG-CD2 4.39Å |
| 50 | Y | 96.9 | Very high | 91.2 | Very high | 39 Ų | 39 | 65.9 Ų | 65.9 | 15% | 0.153 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 149 | 172 | -61.6 | -104.3 | 0 | 0 | 0 | 109.9 | T48 E58 T59 I60 T89 E90 R92 | T48-Y50 HydrophobicContact CG2-CD2 4.26Å; T48-Y50 HydrophobicContact CG2-CE2 3.46Å; T48-Y50 VanDerWaalsContact CG2-CE2 3.46Å; Y50-E58 VanDerWaalsContact CD1-CD 3.43Å; Y50-E58 HydrophobicContact CD1-CG 3.66Å; Y50-E58 VanDerWaalsContact CD1-OE2 3.3Å; Y50-E58 WeakPolarHBondContact CD1-OE2 3.42Å; Y50-E58 WeakPolarHBondContact CE1-OE2 3.33Å; Y50-E58 HydrophobicContact CG-CG 4.38Å; Y50-T59 CarbonylContact C-O 3.57Å; Y50-T59 WeakPolarHBondContact CA-O 3.32Å; Y50-I60 HydrophobicContact CD1-CG1 3.63Å; Y50-I60 HydrophobicContact CE1-CD1 3.86Å; Y50-I60 HydrophobicContact CE1-CG1 3.33Å; Y50-T89 WeakPolarHBondContact O-CA 3.33Å; Y50-E90 PolarHBondContact N-O 2.86Å; Y50-E90 PolarHBondContact O-N 3.07Å; Y50-R92 HydrophobicContact CD2-CG 4.02Å; Y50-R92 HydrophobicContact CE2-CB 4.2Å; Y50-R92 VanDerWaalsContact CE2-CD 3.47Å; Y50-R92 HydrophobicContact CE2-CG 3.84Å |
| 51 | S | 96.4 | Very high | 91.7 | Very high | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 144.5 | 170.2 | 54.9 | 0 | 0 | 0 | 0 | 111.1 | T59 L76 Y88 | S51-T59 PolarHBondContact N-O 3.49Å; S51-T59 PolarHBondContact O-N 2.86Å; S51-L76 WeakPolarHBondContact OG-CD1 3.35Å; S51-Y88 CarbonylContact C-O 3.56Å; S51-Y88 VanDerWaalsContact CA-O 3.29Å; S51-Y88 WeakPolarHBondContact CA-O 3.47Å |
| 52 | R | 95.4 | Very high | 92.1 | Very high | 91 Ų | 91 | 64.5 Ų | 64.5 | 34% | 0.343 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 150.3 | 172.6 | 64.8 | -176.3 | -174.8 | 78.1 | 1.4 | 109.8 | Y88 E99 | R52-Y88 HydrophobicContact CG-CD2 4.34Å; R52-Y88 HydrophobicContact CG-CG 4.33Å; R52-Y88 VanDerWaalsContact CZ-CG 3.45Å; R52-Y88 PolarHBondContact N-O 3.29Å; R52-Y88 VanDerWaalsContact NH1-CD2 3.26Å; R52-Y88 VanDerWaalsContact NH2-CD1 3.28Å; R52-Y88 PolarHBondContact O-N 3.05Å; R52-E99 IonicContact CZ-OE1 2.76Å; R52-E99 IonicContact NE-OE1 3.36Å; R52-E99 PolarHBondContact NE-OE1 3.49Å; R52-E99 IonicContact NH2-OE1 3.34Å; R52-E99 PolarHBondContact NH2-OE1 3.18Å |
| 53 | S | 93.4 | Very high | 92.5 | Very high | 14 Ų | 14 | 69.4 Ų | 69.4 | 10% | 0.098 | 36% | 0.358 | C | S | . | . | trans | -136.4 | -174.7 | 172.2 | 86.6 | 0 | 0 | 0 | 0 | 109.2 | Q56 E85 | S53-Q56 PolarHBondContact N-O 2.93Å; S53-Q56 PolarHBondContact OG-N 3.3Å; S53-E85 WeakPolarHBondContact CB-OE1 3.3Å; S53-E85 PolarHBondContact OG-OE1 2.89Å | ||
| 54 | R | 87.5 | Confident | 92.8 | Very high | 213 Ų | 213 | 71.7 Ų | 71.7 | 80% | 0.804 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -70.9 | -36.1 | -179.7 | -177.2 | -176.6 | 177.8 | -178.2 | 0.4 | 111.9 | E85 | R54-E85 WeakPolarHBondContact CB-OE2 3.16Å; R54-E85 PolarHBondContact N-OE1 3.28Å |
| 55 | H | 82.1 | Confident | 93.2 | Very high | 134 Ų | 134 | 66.8 Ų | 66.8 | 62% | 0.62 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -97.1 | -8.8 | -179.8 | -63.3 | 87.9 | 0 | 0 | 0 | 113.8 | E85 | H55-E85 IonicContact CE1-OE2 3.52Å; H55-E85 PolarHBondContact CE1-OE2 3.41Å; H55-E85 IonicContact CG-OE2 2.66Å; H55-E85 PolarHBondContact N-OE1 2.98Å; H55-E85 IonicContact ND1-OE1 3.71Å; H55-E85 IonicContact ND1-OE2 3.04Å; H55-E85 PolarHBondContact ND1-OE2 2.98Å |
| 56 | Q | 84.7 | Confident | 93.5 | Very high | 41 Ų | 41 | 69 Ų | 69 | 19% | 0.192 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -125.6 | 121.3 | 177.5 | -173.1 | 176.4 | -0.9 | 0 | 0 | 111.4 | S53 T59 | S53-Q56 PolarHBondContact N-O 2.93Å; S53-Q56 PolarHBondContact OG-N 3.3Å; Q56-T59 PolarHBondContact NE2-OG1 3.4Å |
| 57 | G | 88.2 | Confident | 93.5 | Very high | 56 Ų | 56 | 68.5 Ų | 68.5 | 58% | 0.577 | 35% | 0.352 | S | S | * | . | trans | -62.5 | 174.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T59 | G57-T59 PolarHBondContact O-N 2.92Å; G57-T59 VanDerWaalsContact O-N 3.15Å; G57-T59 PolarHBondContact O-OG1 3.29Å | ||
| 58 | E | 93.4 | Very high | 93.4 | Very high | 107 Ų | 107 | 74 Ų | 74 | 50% | 0.5 | 38% | 0.383 | S | S | . | . | trans | -53.4 | 122.6 | -179.4 | -170.8 | -176.8 | -96.2 | 0 | 0 | 111.3 | Y50 R92 | Y50-E58 VanDerWaalsContact CD1-CD 3.43Å; Y50-E58 HydrophobicContact CD1-CG 3.66Å; Y50-E58 VanDerWaalsContact CD1-OE2 3.3Å; Y50-E58 WeakPolarHBondContact CD1-OE2 3.42Å; Y50-E58 WeakPolarHBondContact CE1-OE2 3.33Å; Y50-E58 HydrophobicContact CG-CG 4.38Å; E58-R92 IonicContact OE1-CZ 2.67Å; E58-R92 IonicContact OE1-NH1 2.74Å; E58-R92 PolarHBondContact OE1-NH1 2.94Å; E58-R92 IonicContact OE1-NH2 3.59Å; E58-R92 PolarHBondContact OE1-NH2 2.98Å; E58-R92 IonicContact OE2-NH1 2.67Å; E58-R92 PolarHBondContact OE2-NH1 3.48Å | ||
| 59 | T | 93.5 | Very high | 93.1 | Very high | 43 Ų | 43 | 74.5 Ų | 74.5 | 26% | 0.264 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 125.7 | -176.5 | -59.8 | 0 | 0 | 0 | 0 | 109.4 | Y50 S51 Q56 G57 | Y50-T59 CarbonylContact C-O 3.57Å; Y50-T59 WeakPolarHBondContact CA-O 3.32Å; S51-T59 PolarHBondContact N-O 3.49Å; S51-T59 PolarHBondContact O-N 2.86Å; Q56-T59 PolarHBondContact NE2-OG1 3.4Å; G57-T59 PolarHBondContact O-N 2.92Å; G57-T59 VanDerWaalsContact O-N 3.15Å; G57-T59 PolarHBondContact O-OG1 3.29Å |
| 60 | I | 95.6 | Very high | 92.9 | Very high | 98 Ų | 98 | 78.2 Ų | 78.2 | 50% | 0.503 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 144.6 | 175.2 | -64.6 | 168.8 | 0 | 0 | 0 | 109.8 | Y50 A62 | Y50-I60 HydrophobicContact CD1-CG1 3.63Å; Y50-I60 HydrophobicContact CE1-CD1 3.86Å; Y50-I60 HydrophobicContact CE1-CG1 3.33Å; I60-A62 PolarHBondContact O-N 3.08Å |
| 61 | C | 96.4 | Very high | 92.8 | Very high | 7 Ų | 7 | 77.8 Ų | 77.8 | 5% | 0.047 | 41% | 0.413 | C | S | . | . | trans | -59.7 | 118.5 | 173 | -170 | 0 | 0 | 0 | 0 | 112.7 | F49 K63 Y64 C74 | F49-C61 HydrophobicContact CB-CB 4.04Å; F49-C61 HydrophobicContact CD1-CB 3.85Å; F49-C61 HydrophobicContact CG-CB 4.36Å; F49-C61 PolarHBondContact O-N 3.32Å; C61-K63 VanDerWaalsContact SG-C 3.52Å; C61-Y64 HydrophobicContact CB-CD1 4.34Å; C61-Y64 HydrophobicContact CB-CD2 4.3Å; C61-Y64 HydrophobicContact CB-CE1 3.83Å; C61-Y64 HydrophobicContact CB-CE2 3.77Å; C61-Y64 WeakPolarHBondContact O-CE2 3.34Å; C61-C74 VanDerWaalsContact CA-SG 3.58Å; C61-C74 HydrophobicContact CB-CB 3.93Å; C61-C74 WeakPolarHBondContact CB-SG 3.39Å; C61-C74 VanDerWaalsContact SG-CA 3.55Å; C61-C74 WeakPolarHBondContact SG-CB 3.44Å; C61-C74 CovalentContact SG-SG 2.02Å; C61-C74 PolarHBondContact SG-SG 3.29Å | ||
| 62 | A | 93.6 | Very high | 92.8 | Very high | 102 Ų | 102 | 78.4 Ų | 78.4 | 84% | 0.843 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -85.1 | -26.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | I60 | I60-A62 PolarHBondContact O-N 3.08Š|
| 63 | K | 96.6 | Very high | 92.9 | Very high | 137 Ų | 137 | 74.1 Ų | 74.1 | 60% | 0.596 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 87 | -174.5 | -172.6 | 174.3 | -179.8 | 175.6 | 0 | 111.3 | C61 T75 | C61-K63 VanDerWaalsContact SG-C 3.52Å; K63-T75 PolarHBondContact O-N 2.98Å |
| 64 | Y | 97.2 | Very high | 93.1 | Very high | 64 Ų | 64 | 73.4 Ų | 73.4 | 25% | 0.251 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 147.2 | 173.5 | -72.7 | -82.8 | 0 | 0 | 0 | 111.9 | W37 F49 C61 N71 G73 | W37-Y64 HydrophobicContact CH2-CD1 4.19Å; W37-Y64 HydrophobicContact CH2-CE1 4.17Å; W37-Y64 HydrophobicContact CZ2-CD1 4.38Å; W37-Y64 HydrophobicContact CZ2-CE1 4.42Å; F49-Y64 HydrophobicContact CB-CE1 4.01Å; F49-Y64 PolarHBondContact N-OH 3.49Å; C61-Y64 HydrophobicContact CB-CD1 4.34Å; C61-Y64 HydrophobicContact CB-CD2 4.3Å; C61-Y64 HydrophobicContact CB-CE1 3.83Å; C61-Y64 HydrophobicContact CB-CE2 3.77Å; C61-Y64 WeakPolarHBondContact O-CE2 3.34Å; Y64-N71 HydrophobicContact CD1-CB 3.89Å; Y64-N71 HydrophobicContact CE1-CB 4.38Å; Y64-G73 WeakPolarHBondContact CA-O 3.45Å |
| 65 | L | 96.2 | Very high | 93.5 | Very high | 44 Ų | 44 | 64.4 Ų | 64.4 | 23% | 0.23 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 132.3 | 163.9 | -58 | 176.4 | 0 | 0 | 0 | 107.3 | R34 I72 G73 | R34-L65 HydrophobicContact CG-CD1 3.87Å; L65-I72 HydrophobicContact CB-CG1 4.14Å; L65-I72 VanDerWaalsContact O-CG1 3.26Å; L65-I72 WeakPolarHBondContact O-CG1 3.46Å; L65-I72 PolarHBondContact O-N 3.28Å; L65-G73 PolarHBondContact N-O 3.04Å; L65-G73 PolarHBondContact O-N 2.9Å |
| 66 | T | 95.4 | Very high | 94.2 | Very high | 92 Ų | 92 | 58.4 Ų | 58.4 | 56% | 0.564 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 143.4 | -174.1 | 56.6 | 0 | 0 | 0 | 0 | 112.5 | R70 | T66-R70 CarbonylContact C-O 3.56Å; T66-R70 WeakPolarHBondContact CA-O 3.42Å |
| 67 | E | 94.6 | Very high | 94.6 | Very high | 75 Ų | 75 | 60.6 Ų | 60.6 | 35% | 0.35 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 134.2 | 175.3 | -179.6 | -177.4 | -106.7 | 0 | 0 | 108.1 | T42 G69 R70 I72 | T42-E67 PolarHBondContact OG1-OE2 3.32Å; E67-G69 PolarHBondContact O-N 2.98Å; E67-G69 VanDerWaalsContact O-N 3.08Å; E67-R70 PolarHBondContact N-O 3.28Å; E67-R70 PolarHBondContact O-N 2.64Å; E67-I72 HydrophobicContact CB-CD1 3.78Å; E67-I72 HydrophobicContact CB-CG1 4.1Å; E67-I72 HydrophobicContact CB-CG2 3.8Å |
| 68 | N | 90.4 | Very high | 94.9 | Very high | 139 Ų | 139 | 59.9 Ų | 59.9 | 74% | 0.743 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 34 | -177.5 | -57.5 | -40.1 | 0 | 0 | 0 | 114.2 | T42 R70 | T42-N68 HydrophobicContact CG2-CB 4.44Å; T42-N68 PolarHBondContact OG1-ND2 3.48Å; N68-R70 VanDerWaalsContact C-N 3.27Å; N68-R70 PolarHBondContact O-N 3.4Å |
| 69 | G | 90.2 | Very high | 94.9 | Very high | 66 Ų | 66 | 57.9 Ų | 57.9 | 68% | 0.68 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.2 | 8.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | E67 | E67-G69 PolarHBondContact O-N 2.98Å; E67-G69 VanDerWaalsContact O-N 3.08Å |
| 70 | R | 92.9 | Very high | 94.8 | Very high | 78 Ų | 78 | 63.8 Ų | 63.8 | 29% | 0.294 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 147.2 | 178.5 | -63.7 | -172.6 | 176.7 | 155.6 | -10.1 | 113 | T42 P43 Q44 N46 T66 E67 N68 I72 | T42-R70 HydrophobicContact CG2-CB 3.87Å; T42-R70 HydrophobicContact CG2-CG 4.43Å; P43-R70 WeakPolarHBondContact O-CD 3.4Å; P43-R70 VanDerWaalsContact O-CZ 3.31Å; P43-R70 PolarHBondContact O-NE 2.77Å; P43-R70 PolarHBondContact O-NH1 3.46Å; Q44-R70 VanDerWaalsContact O-CZ 3.3Å; Q44-R70 PolarHBondContact O-NH2 2.89Å; Q44-R70 VanDerWaalsContact O-NH2 3.08Å; Q44-R70 VanDerWaalsContact OE1-NH2 3.12Å; N46-R70 WeakPolarHBondContact OD1-CA 3.34Å; N46-R70 WeakPolarHBondContact OD1-CB 3.37Å; T66-R70 CarbonylContact C-O 3.56Å; T66-R70 WeakPolarHBondContact CA-O 3.42Å; E67-R70 PolarHBondContact N-O 3.28Å; E67-R70 PolarHBondContact O-N 2.64Å; N68-R70 VanDerWaalsContact C-N 3.27Å; N68-R70 PolarHBondContact O-N 3.4Å; R70-I72 PolarHBondContact O-N 2.9Å |
| 71 | N | 95.1 | Very high | 94.6 | Very high | 29 Ų | 29 | 63.4 Ų | 63.4 | 16% | 0.155 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 118.1 | 176.9 | -65.9 | -13.8 | 0 | 0 | 0 | 110.1 | W37 P43 N46 Y47 Y64 | W37-N71 HydrophobicContact CZ2-CB 4.05Å; W37-N71 PolarHBondContact NE1-O 3.34Å; P43-N71 VanDerWaalsContact CG-O 3.27Å; P43-N71 WeakPolarHBondContact CG-O 3.42Å; N46-N71 PolarHBondContact OD1-N 3.28Å; Y47-N71 PolarHBondContact O-ND2 3.14Å; Y64-N71 HydrophobicContact CD1-CB 3.89Å; Y64-N71 HydrophobicContact CE1-CB 4.38Å |
| 72 | I | 96.1 | Very high | 94.4 | Very high | 17 Ų | 17 | 63.1 Ų | 63.1 | 9% | 0.087 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | -13.1 | 178.9 | 53.8 | 156 | 0 | 0 | 0 | 114.1 | M36 W37 N38 T42 L65 E67 R70 | M36-I72 WeakPolarHBondContact CA-O 3.47Å; W37-I72 VanDerWaalsContact CE2-C 3.48Å; W37-I72 PolarHBondContact N-O 3.44Å; N38-I72 HydrophobicContact CB-CB 3.84Å; N38-I72 HydrophobicContact CB-CG2 3.81Å; T42-I72 HydrophobicContact CG2-CG2 4.11Å; L65-I72 HydrophobicContact CB-CG1 4.14Å; L65-I72 VanDerWaalsContact O-CG1 3.26Å; L65-I72 WeakPolarHBondContact O-CG1 3.46Å; L65-I72 PolarHBondContact O-N 3.28Å; E67-I72 HydrophobicContact CB-CD1 3.78Å; E67-I72 HydrophobicContact CB-CG1 4.1Å; E67-I72 HydrophobicContact CB-CG2 3.8Å; R70-I72 PolarHBondContact O-N 2.9Å |
| 73 | G | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.8 | 175.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | C35 W37 Y64 L65 | C35-G73 CarbonylContact O-C 3.6Å; C35-G73 WeakPolarHBondContact O-CA 3.19Å; W37-G73 VanDerWaalsContact CH2-CA 3.43Å; W37-G73 WeakPolarHBondContact CH2-O 3.39Å; W37-G73 VanDerWaalsContact CZ3-C 3.46Å; W37-G73 VanDerWaalsContact CZ3-CA 3.4Å; Y64-G73 WeakPolarHBondContact CA-O 3.45Å; L65-G73 PolarHBondContact N-O 3.04Å; L65-G73 PolarHBondContact O-N 2.9Å |
| 74 | C | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 145.7 | 174.4 | -174.2 | 0 | 0 | 0 | 0 | 110.4 | R34 C35 W37 F49 C61 | R34-C74 WeakPolarHBondContact CA-O 3.38Å; C35-C74 PolarHBondContact N-O 2.95Å; C35-C74 PolarHBondContact O-N 2.78Å; W37-C74 HydrophobicContact CH2-CB 4.2Å; W37-C74 HydrophobicContact CZ3-CB 4.12Å; F49-C74 HydrophobicContact CD1-CB 3.81Å; F49-C74 HydrophobicContact CD2-CB 4.39Å; F49-C74 HydrophobicContact CE1-CB 4.07Å; F49-C74 HydrophobicContact CG-CB 3.98Å; F49-C74 HydrophobicContact CZ-CB 4.44Å; C61-C74 VanDerWaalsContact CA-SG 3.58Å; C61-C74 HydrophobicContact CB-CB 3.93Å; C61-C74 WeakPolarHBondContact CB-SG 3.39Å; C61-C74 VanDerWaalsContact SG-CA 3.55Å; C61-C74 WeakPolarHBondContact SG-CB 3.44Å; C61-C74 CovalentContact SG-SG 2.02Å; C61-C74 PolarHBondContact SG-SG 3.29Å |
| 75 | T | 97.7 | Very high | 94.1 | Very high | 23 Ų | 23 | 55.1 Ų | 55.1 | 14% | 0.141 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 124.6 | 164.1 | -54.3 | 0 | 0 | 0 | 0 | 109.8 | I33 K63 | I33-T75 WeakPolarHBondContact O-CA 3.08Å; K63-T75 PolarHBondContact O-N 2.98Å |
| 76 | L | 95.3 | Very high | 94 | Very high | 9 Ų | 9 | 55.1 Ų | 55.1 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 153.3 | 178.8 | -57.5 | 166.7 | 0 | 0 | 0 | 110 | S32 I33 F49 S51 F87 | S32-L76 CarbonylContact C-O 3.5Å; S32-L76 VanDerWaalsContact CA-O 3.23Å; S32-L76 WeakPolarHBondContact CA-O 3.49Å; S32-L76 VanDerWaalsContact CB-O 3.22Å; S32-L76 WeakPolarHBondContact CB-O 3.31Å; I33-L76 HydrophobicContact CB-CB 4.32Å; I33-L76 PolarHBondContact N-O 3.15Å; I33-L76 PolarHBondContact O-N 2.7Å; F49-L76 HydrophobicContact CE1-CD1 3.98Å; F49-L76 HydrophobicContact CE1-CD2 4.34Å; F49-L76 HydrophobicContact CE1-CG 4.46Å; F49-L76 HydrophobicContact CZ-CD1 4.33Å; S51-L76 WeakPolarHBondContact OG-CD1 3.35Å; L76-F87 HydrophobicContact CD1-CE2 4.44Å; L76-F87 HydrophobicContact CD1-CZ 3.69Å |
| 77 | P | 94.3 | Very high | 94.1 | Very high | 87 Ų | 87 | 50.8 Ų | 50.8 | 57% | 0.565 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62 | 144.2 | 165.5 | 29.5 | -34.9 | 0 | 0 | 0 | 110.1 | ||
| 78 | Y | 93.7 | Very high | 94.2 | Very high | 41 Ų | 41 | 49.7 Ų | 49.7 | 16% | 0.161 | 26% | 0.256 | C | S | . | . | trans | -86.9 | 129.2 | 175.2 | 172.7 | -104.7 | 0 | 0 | 0 | 111.3 | V27 L30 E31 I33 R80 R83 | V27-Y78 HydrophobicContact CG1-CD2 3.47Å; V27-Y78 VanDerWaalsContact CG1-CD2 3.47Å; V27-Y78 HydrophobicContact CG1-CE2 3.57Å; V27-Y78 HydrophobicContact CG1-CG 4.13Å; V27-Y78 HydrophobicContact CG2-CD2 4.3Å; V27-Y78 HydrophobicContact CG2-CE2 4.14Å; L30-Y78 HydrophobicContact CB-CD1 4.3Å; L30-Y78 HydrophobicContact CB-CE1 4.01Å; L30-Y78 HydrophobicContact CD2-CE1 4Å; L30-Y78 HydrophobicContact CD2-CE2 4.34Å; L30-Y78 WeakPolarHBondContact O-CD1 3.48Å; E31-Y78 VanDerWaalsContact C-CB 3.45Å; E31-Y78 WeakPolarHBondContact O-CB 3.34Å; E31-Y78 PolarHBondContact O-N 3Å; I33-Y78 HydrophobicContact CD1-CD2 4.37Å; I33-Y78 HydrophobicContact CG1-CD2 4.03Å; Y78-R80 HydrophobicContact CE1-CB 4.48Å; Y78-R83 HydrophobicContact CE2-CB 4.03Å; Y78-R83 VanDerWaalsContact OH-CD 3.32Å; Y78-R83 WeakPolarHBondContact OH-CD 3.32Å | ||
| 79 | I | 92.7 | Very high | 94.5 | Very high | 65 Ų | 65 | 43.1 Ų | 43.1 | 33% | 0.333 | 22% | 0.221 | S | C | . | . | trans | -116.2 | 135.6 | 169.3 | -67.5 | 161 | 0 | 0 | 0 | 107.3 | E81 Q82 | I79-E81 VanDerWaalsContact C-N 3.27Å; I79-E81 HydrophobicContact CG2-CB 4.38Å; I79-E81 WeakPolarHBondContact CG2-OE2 3.32Å; I79-E81 PolarHBondContact O-N 2.82Å; I79-Q82 HydrophobicContact CB-CG 4Å; I79-Q82 HydrophobicContact CG2-CG 4.44Å; I79-Q82 WeakPolarHBondContact O-CB 3.26Å; I79-Q82 PolarHBondContact O-N 2.86Å; I79-Q82 PolarHBondContact O-OE1 3.03Å | ||
| 80 | R | 91.6 | Very high | 94.8 | Very high | 167 Ų | 167 | 41 Ų | 41 | 63% | 0.63 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -63.3 | -35.4 | -167.6 | -174.8 | -177.3 | -179.1 | -150.9 | 0.2 | 112.7 | Y78 R83 F84 | Y78-R80 HydrophobicContact CE1-CB 4.48Å; R80-R83 WeakPolarHBondContact O-CB 3.33Å; R80-R83 PolarHBondContact O-N 3.25Å; R80-F84 HydrophobicContact CG-CE2 4.31Å; R80-F84 WeakPolarHBondContact O-CD2 3.48Å |
| 81 | E | 92.1 | Very high | 94.9 | Very high | 89 Ų | 89 | 37.3 Ų | 37.3 | 42% | 0.416 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -63.9 | -40.8 | -176.8 | -67.6 | 60.9 | -138.3 | 0 | 0 | 110.7 | I79 R83 F84 E85 | I79-E81 VanDerWaalsContact C-N 3.27Å; I79-E81 HydrophobicContact CG2-CB 4.38Å; I79-E81 WeakPolarHBondContact CG2-OE2 3.32Å; I79-E81 PolarHBondContact O-N 2.82Å; E81-R83 PolarHBondContact O-N 3.16Å; E81-F84 PolarHBondContact O-N 3.29Å; E81-E85 WeakPolarHBondContact O-CG 3.49Å |
| 82 | Q | 93.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.009 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -54.5 | -24.2 | 176.8 | -61 | 171.3 | -43.8 | 0 | 0 | 113.4 | I33 I79 F87 | I33-Q82 HydrophobicContact CD1-CB 4.31Å; I79-Q82 HydrophobicContact CB-CG 4Å; I79-Q82 HydrophobicContact CG2-CG 4.44Å; I79-Q82 WeakPolarHBondContact O-CB 3.26Å; I79-Q82 PolarHBondContact O-N 2.86Å; I79-Q82 PolarHBondContact O-OE1 3.03Å; Q82-F87 HydrophobicContact CB-CD2 4.35Å |
| 83 | R | 93.3 | Very high | 94.8 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 3% | 0.026 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -74.8 | -25.7 | 180 | -174.3 | 168.9 | 172.1 | -129.7 | -5.3 | 113.5 | Y78 R80 E81 K105 C187 G188 | Y78-R83 HydrophobicContact CE2-CB 4.03Å; Y78-R83 VanDerWaalsContact OH-CD 3.32Å; Y78-R83 WeakPolarHBondContact OH-CD 3.32Å; R80-R83 WeakPolarHBondContact O-CB 3.33Å; R80-R83 PolarHBondContact O-N 3.25Å; E81-R83 PolarHBondContact O-N 3.16Å; R83-K105 VanDerWaalsContact CZ-O 3.3Å; R83-K105 PolarHBondContact NE-O 3.36Å; R83-K105 VanDerWaalsContact NE-O 3.07Å; R83-K105 PolarHBondContact NH2-O 2.88Å; R83-K105 WeakPolarHBondContact O-CA 3.47Å; R83-K105 PolarHBondContact O-N 3.12Å; R83-K105 VanDerWaalsContact O-N 3.08Å; R83-C187 PolarHBondContact NH1-O 2.77Å; R83-C187 PolarHBondContact NH2-O 2.74Å; R83-G188 PolarHBondContact NH2-O 3.01Å |
| 84 | F | 93.4 | Very high | 94.4 | Very high | 99 Ų | 99 | 44.6 Ų | 44.6 | 43% | 0.434 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -115.3 | 17.8 | -171.5 | -57.5 | -75.7 | 0 | 0 | 0 | 112.3 | R80 E81 K105 | R80-F84 HydrophobicContact CG-CE2 4.31Å; R80-F84 WeakPolarHBondContact O-CD2 3.48Å; E81-F84 PolarHBondContact O-N 3.29Å; F84-K105 HydrophobicContact CD1-CG 4.19Å; F84-K105 HydrophobicContact CE1-CG 4.25Å |
| 85 | E | 93.1 | Very high | 94 | Very high | 29 Ų | 29 | 50.5 Ų | 50.5 | 14% | 0.136 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -140.6 | 167 | 178.4 | 70.5 | -170.1 | -156.9 | 0 | 0 | 111 | S53 R54 H55 E81 F87 | S53-E85 WeakPolarHBondContact CB-OE1 3.3Å; S53-E85 PolarHBondContact OG-OE1 2.89Å; R54-E85 WeakPolarHBondContact CB-OE2 3.16Å; R54-E85 PolarHBondContact N-OE1 3.28Å; H55-E85 IonicContact CE1-OE2 3.52Å; H55-E85 PolarHBondContact CE1-OE2 3.41Å; H55-E85 IonicContact CG-OE2 2.66Å; H55-E85 PolarHBondContact N-OE1 2.98Å; H55-E85 IonicContact ND1-OE1 3.71Å; H55-E85 IonicContact ND1-OE2 3.04Å; H55-E85 PolarHBondContact ND1-OE2 2.98Å; E81-E85 WeakPolarHBondContact O-CG 3.49Å; E85-F87 PolarHBondContact O-N 2.74Å; E85-F87 VanDerWaalsContact O-N 3.17Å |
| 86 | S | 94.8 | Very high | 93.7 | Very high | 44 Ų | 44 | 53.6 Ų | 53.6 | 31% | 0.308 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 114.6 | 173.6 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | Y88 E101 | S86-Y88 VanDerWaalsContact CB-CE2 3.43Å; S86-Y88 WeakPolarHBondContact CB-OH 3.23Å; S86-E101 WeakPolarHBondContact CB-OE1 3.35Å; S86-E101 PolarHBondContact OG-OE1 2.8Å |
| 87 | F | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 116.9 | 174.9 | -177.9 | -99.7 | 0 | 0 | 0 | 109.5 | I33 L76 Q82 E85 T89 H102 L104 | I33-F87 HydrophobicContact CD1-CE2 4.09Å; I33-F87 HydrophobicContact CD1-CZ 4.32Å; I33-F87 HydrophobicContact CG2-CE1 4.45Å; I33-F87 HydrophobicContact CG2-CZ 4.44Å; L76-F87 HydrophobicContact CD1-CE2 4.44Å; L76-F87 HydrophobicContact CD1-CZ 3.69Å; Q82-F87 HydrophobicContact CB-CD2 4.35Å; E85-F87 PolarHBondContact O-N 2.74Å; E85-F87 VanDerWaalsContact O-N 3.17Å; F87-T89 HydrophobicContact CD1-CG2 3.97Å; F87-T89 HydrophobicContact CE1-CG2 3.46Å; F87-T89 VanDerWaalsContact CE1-CG2 3.46Å; F87-T89 HydrophobicContact CZ-CG2 4.35Å; F87-H102 HydrophobicContact CD1-CB 4.41Å; F87-H102 PolarHBondContact N-O 3.43Å; F87-H102 VanDerWaalsContact N-O 3.08Å; F87-H102 PolarHBondContact O-CD2 3.35Å; F87-H102 PolarHBondContact O-N 2.96Å; F87-L104 HydrophobicContact CB-CD1 3.74Å; F87-L104 HydrophobicContact CB-CG 3.95Å; F87-L104 HydrophobicContact CD1-CD1 3.87Å; F87-L104 HydrophobicContact CD1-CG 4.33Å; F87-L104 HydrophobicContact CD2-CD1 4.01Å; F87-L104 HydrophobicContact CE1-CD1 4.47Å; F87-L104 HydrophobicContact CG-CD1 3.6Å; F87-L104 HydrophobicContact CG-CG 4.22Å |
| 88 | Y | 96.6 | Very high | 93.6 | Very high | 52 Ų | 52 | 54.3 Ų | 54.3 | 20% | 0.204 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 135.6 | -177.2 | -60.5 | -90.9 | 0 | 0 | 0 | 110.4 | S51 R52 S86 K100 E101 | S51-Y88 CarbonylContact C-O 3.56Å; S51-Y88 VanDerWaalsContact CA-O 3.29Å; S51-Y88 WeakPolarHBondContact CA-O 3.47Å; R52-Y88 HydrophobicContact CG-CD2 4.34Å; R52-Y88 HydrophobicContact CG-CG 4.33Å; R52-Y88 VanDerWaalsContact CZ-CG 3.45Å; R52-Y88 PolarHBondContact N-O 3.29Å; R52-Y88 VanDerWaalsContact NH1-CD2 3.26Å; R52-Y88 VanDerWaalsContact NH2-CD1 3.28Å; R52-Y88 PolarHBondContact O-N 3.05Å; S86-Y88 VanDerWaalsContact CB-CE2 3.43Å; S86-Y88 WeakPolarHBondContact CB-OH 3.23Å; Y88-K100 WeakPolarHBondContact CA-O 3.43Å; Y88-E101 HydrophobicContact CD1-CB 3.85Å; Y88-E101 HydrophobicContact CD1-CG 4.03Å; Y88-E101 HydrophobicContact CE1-CB 3.67Å; Y88-E101 VanDerWaalsContact CE1-CD 3.5Å; Y88-E101 HydrophobicContact CE1-CG 3.57Å; Y88-E101 WeakPolarHBondContact CE1-OE2 3.38Å; Y88-E101 VanDerWaalsContact CZ-OE2 3.31Å; Y88-E101 VanDerWaalsContact OH-CD 3.22Å; Y88-E101 PolarHBondContact OH-OE1 2.99Å; Y88-E101 PolarHBondContact OH-OE2 3.26Å |
| 89 | T | 96.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 143.5 | 173 | 61.3 | 0 | 0 | 0 | 0 | 111 | V23 C25 F49 Y50 F87 E99 K100 H102 | V23-T89 HydrophobicContact CG1-CG2 4.3Å; C25-T89 VanDerWaalsContact SG-CG2 3.59Å; F49-T89 HydrophobicContact CE2-CG2 3.73Å; F49-T89 HydrophobicContact CZ-CG2 3.6Å; Y50-T89 WeakPolarHBondContact O-CA 3.33Å; F87-T89 HydrophobicContact CD1-CG2 3.97Å; F87-T89 HydrophobicContact CE1-CG2 3.46Å; F87-T89 VanDerWaalsContact CE1-CG2 3.46Å; F87-T89 HydrophobicContact CZ-CG2 4.35Å; T89-E99 CarbonylContact O-C 3.6Å; T89-E99 WeakPolarHBondContact O-CA 3.36Å; T89-K100 PolarHBondContact N-O 2.89Å; T89-K100 PolarHBondContact O-N 3.29Å; T89-K100 PolarHBondContact OG1-O 3.35Å; T89-H102 PolarHBondContact OG1-NE2 2.82Å |
| 90 | E | 96 | Very high | 93.7 | Very high | 23 Ų | 23 | 57.3 Ų | 57.3 | 11% | 0.107 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 132.1 | 177.3 | -161.2 | -169.3 | 138.5 | 0 | 0 | 111 | F49 Y50 R92 T97 Y98 E99 | F49-E90 WeakPolarHBondContact CA-O 3.34Å; Y50-E90 PolarHBondContact N-O 2.86Å; Y50-E90 PolarHBondContact O-N 3.07Å; E90-R92 VanDerWaalsContact CD-NH2 3.31Å; E90-R92 VanDerWaalsContact OE1-CG 3.28Å; E90-R92 WeakPolarHBondContact OE1-CG 3.37Å; E90-R92 IonicContact OE1-CZ 3.07Å; E90-R92 IonicContact OE1-NE 2.88Å; E90-R92 PolarHBondContact OE1-NE 3.42Å; E90-R92 IonicContact OE1-NH2 3.95Å; E90-R92 PolarHBondContact OE1-NH2 3.21Å; E90-R92 IonicContact OE2-CZ 2.66Å; E90-R92 IonicContact OE2-NE 3.78Å; E90-R92 IonicContact OE2-NH2 2.67Å; E90-R92 PolarHBondContact OE2-NH2 2.9Å; E90-T97 VanDerWaalsContact CD-CG2 3.41Å; E90-T97 HydrophobicContact CG-CG2 3.59Å; E90-T97 WeakPolarHBondContact OE1-CG2 3.25Å; E90-T97 PolarHBondContact OE1-OG1 2.87Å; E90-Y98 CarbonylContact C-O 3.6Å; E90-Y98 WeakPolarHBondContact CA-O 3.48Å; E90-E99 HydrophobicContact CG-CB 4.38Å |
| 91 | L | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 122.3 | 168.1 | -64.4 | 178.2 | 0 | 0 | 0 | 109.7 | P21 V23 W37 Y47 F49 T97 Y98 | P21-L91 HydrophobicContact CB-CD1 3.86Å; P21-L91 HydrophobicContact CG-CD1 3.84Å; V23-L91 HydrophobicContact CG2-CD1 3.64Å; V23-L91 HydrophobicContact CG2-CG 3.86Å; W37-L91 HydrophobicContact CB-CD1 3.93Å; W37-L91 HydrophobicContact CD2-CD1 4.09Å; W37-L91 HydrophobicContact CD2-CD2 3.84Å; W37-L91 HydrophobicContact CE3-CD2 3.81Å; W37-L91 HydrophobicContact CG-CD1 3.82Å; W37-L91 HydrophobicContact CG-CD2 4.45Å; W37-L91 HydrophobicContact CH2-CD2 4.13Å; W37-L91 HydrophobicContact CZ2-CD2 4.17Å; W37-L91 HydrophobicContact CZ3-CD2 3.97Å; Y47-L91 HydrophobicContact CD1-CB 4.05Å; Y47-L91 HydrophobicContact CD2-CD1 4.07Å; Y47-L91 HydrophobicContact CG-CB 4.04Å; Y47-L91 HydrophobicContact CG-CD1 4.19Å; Y47-L91 HydrophobicContact CG-CD2 4.39Å; Y47-L91 HydrophobicContact CG-CG 4.45Å; F49-L91 HydrophobicContact CB-CD2 4.01Å; F49-L91 HydrophobicContact CD2-CD2 3.79Å; F49-L91 HydrophobicContact CG-CD2 4.39Å; L91-T97 WeakPolarHBondContact O-CA 3.15Å; L91-Y98 HydrophobicContact CB-CD2 4.33Å; L91-Y98 PolarHBondContact N-O 3.17Å; L91-Y98 PolarHBondContact O-N 3.11Å |
| 92 | R | 95.1 | Very high | 94.1 | Very high | 66 Ų | 66 | 51 Ų | 51 | 25% | 0.249 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 132.6 | 174.9 | -61.7 | -171.5 | -178.9 | 137.4 | 12.3 | 111.3 | Y47 T48 Y50 E58 E90 K96 | Y47-R92 WeakPolarHBondContact CA-O 3.43Å; T48-R92 PolarHBondContact N-O 3.13Å; T48-R92 PolarHBondContact O-N 2.88Å; Y50-R92 HydrophobicContact CD2-CG 4.02Å; Y50-R92 HydrophobicContact CE2-CB 4.2Å; Y50-R92 VanDerWaalsContact CE2-CD 3.47Å; Y50-R92 HydrophobicContact CE2-CG 3.84Å; E58-R92 IonicContact OE1-CZ 2.67Å; E58-R92 IonicContact OE1-NH1 2.74Å; E58-R92 PolarHBondContact OE1-NH1 2.94Å; E58-R92 IonicContact OE1-NH2 3.59Å; E58-R92 PolarHBondContact OE1-NH2 2.98Å; E58-R92 IonicContact OE2-NH1 2.67Å; E58-R92 PolarHBondContact OE2-NH1 3.48Å; E90-R92 VanDerWaalsContact CD-NH2 3.31Å; E90-R92 VanDerWaalsContact OE1-CG 3.28Å; E90-R92 WeakPolarHBondContact OE1-CG 3.37Å; E90-R92 IonicContact OE1-CZ 3.07Å; E90-R92 IonicContact OE1-NE 2.88Å; E90-R92 PolarHBondContact OE1-NE 3.42Å; E90-R92 IonicContact OE1-NH2 3.95Å; E90-R92 PolarHBondContact OE1-NH2 3.21Å; E90-R92 IonicContact OE2-CZ 2.66Å; E90-R92 IonicContact OE2-NE 3.78Å; E90-R92 IonicContact OE2-NH2 2.67Å; E90-R92 PolarHBondContact OE2-NH2 2.9Å; R92-K96 WeakPolarHBondContact CA-O 3.13Å |
| 93 | D | 92.9 | Very high | 94.2 | Very high | 53 Ų | 53 | 55.5 Ų | 55.5 | 28% | 0.283 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 98.5 | 168.7 | 172.6 | 38.8 | 0 | 0 | 0 | 109.3 | V45 Y47 S95 K96 | V45-D93 HydrophobicContact CG2-CB 4.23Å; Y47-D93 HydrophobicContact CD1-CB 3.68Å; Y47-D93 HydrophobicContact CE1-CB 3.62Å; D93-S95 PolarHBondContact O-N 3.33Å; D93-S95 VanDerWaalsContact O-N 3.1Å; D93-K96 PolarHBondContact N-O 3.01Å; D93-K96 WeakPolarHBondContact O-CB 3.35Å; D93-K96 PolarHBondContact O-N 2.87Å |
| 94 | G | 89.1 | Confident | 94.3 | Very high | 79 Ų | 79 | 55.1 Ų | 55.1 | 81% | 0.814 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | -113.8 | -173 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 95 | S | 89 | Confident | 94.3 | Very high | 124 Ų | 124 | 55.1 Ų | 55.1 | 87% | 0.867 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 2.2 | 176 | 70.1 | 0 | 0 | 0 | 0 | 114.1 | D93 | D93-S95 PolarHBondContact O-N 3.33Å; D93-S95 VanDerWaalsContact O-N 3.1Å |
| 96 | K | 91.1 | Very high | 94.5 | Very high | 88 Ų | 88 | 55.6 Ų | 55.6 | 38% | 0.383 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 130.9 | 178.9 | -61.6 | -178.9 | 179.5 | -178.1 | 0 | 109.6 | R92 D93 Y98 | R92-K96 WeakPolarHBondContact CA-O 3.13Å; D93-K96 PolarHBondContact N-O 3.01Å; D93-K96 WeakPolarHBondContact O-CB 3.35Å; D93-K96 PolarHBondContact O-N 2.87Å; K96-Y98 HydrophobicContact CB-CE2 4.13Å |
| 97 | T | 93.5 | Very high | 94.6 | Very high | 75 Ų | 75 | 56.4 Ų | 56.4 | 46% | 0.46 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 133.7 | 179.2 | -83.9 | 0 | 0 | 0 | 0 | 108.9 | E90 L91 | E90-T97 VanDerWaalsContact CD-CG2 3.41Å; E90-T97 HydrophobicContact CG-CG2 3.59Å; E90-T97 WeakPolarHBondContact OE1-CG2 3.25Å; E90-T97 PolarHBondContact OE1-OG1 2.87Å; L91-T97 WeakPolarHBondContact O-CA 3.15Å |
| 98 | Y | 93.8 | Very high | 94.6 | Very high | 36 Ų | 36 | 56.4 Ų | 56.4 | 14% | 0.141 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 101.2 | 175.8 | -52.5 | -70.9 | 0 | 0 | 0 | 109.2 | Y20 P21 Y47 E90 L91 K96 | Y20-Y98 AromaticContact CD1-CD1 3.7Å; Y20-Y98 HydrophobicContact CD1-CD1 3.7Å; Y20-Y98 AromaticContact CD1-CE1 3.49Å; Y20-Y98 HydrophobicContact CD1-CE1 3.49Å; Y20-Y98 VanDerWaalsContact CD1-CE1 3.49Å; Y20-Y98 HydrophobicContact CE1-CD1 4.43Å; Y20-Y98 AromaticContact CE1-CE1 3.96Å; Y20-Y98 HydrophobicContact CE1-CE1 3.96Å; P21-Y98 HydrophobicContact CG-CD2 3.67Å; P21-Y98 HydrophobicContact CG-CE2 4.08Å; P21-Y98 HydrophobicContact CG-CG 3.92Å; Y47-Y98 HydrophobicContact CE1-CD2 4.07Å; Y47-Y98 AromaticContact CE1-CE2 3.76Å; Y47-Y98 HydrophobicContact CE1-CE2 3.76Å; E90-Y98 CarbonylContact C-O 3.6Å; E90-Y98 WeakPolarHBondContact CA-O 3.48Å; L91-Y98 HydrophobicContact CB-CD2 4.33Å; L91-Y98 PolarHBondContact N-O 3.17Å; L91-Y98 PolarHBondContact O-N 3.11Å; K96-Y98 HydrophobicContact CB-CE2 4.13Å |
| 99 | E | 94.7 | Very high | 94.6 | Very high | 103 Ų | 103 | 56.6 Ų | 56.6 | 48% | 0.481 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 143.1 | 178.6 | -172.4 | 172.7 | -153 | 0 | 0 | 111.4 | R52 T89 E90 | R52-E99 IonicContact CZ-OE1 2.76Å; R52-E99 IonicContact NE-OE1 3.36Å; R52-E99 PolarHBondContact NE-OE1 3.49Å; R52-E99 IonicContact NH2-OE1 3.34Å; R52-E99 PolarHBondContact NH2-OE1 3.18Å; T89-E99 CarbonylContact O-C 3.6Å; T89-E99 WeakPolarHBondContact O-CA 3.36Å; E90-E99 HydrophobicContact CG-CB 4.38Å |
| 100 | K | 95.1 | Very high | 94.6 | Very high | 67 Ų | 67 | 56.8 Ų | 56.8 | 29% | 0.291 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 135 | 173.6 | -175.5 | 172.8 | 176.2 | -178.5 | 0 | 110.9 | D22 V23 Y88 T89 H102 | D22-K100 VanDerWaalsContact CG-NZ 3.27Å; D22-K100 IonicContact OD1-NZ 3.35Å; D22-K100 PolarHBondContact OD1-NZ 2.84Å; D22-K100 IonicContact OD2-NZ 3.22Å; D22-K100 PolarHBondContact OD2-NZ 3.3Å; D22-K100 VanDerWaalsContact OD2-NZ 3.15Å; V23-K100 WeakPolarHBondContact O-CD 3.08Å; V23-K100 WeakPolarHBondContact O-CE 3.19Å; V23-K100 PolarHBondContact O-NZ 3.49Å; Y88-K100 WeakPolarHBondContact CA-O 3.43Å; T89-K100 PolarHBondContact N-O 2.89Å; T89-K100 PolarHBondContact O-N 3.29Å; T89-K100 PolarHBondContact OG1-O 3.35Å; K100-H102 PolarHBondContact O-CD2 2.9Å |
| 101 | E | 95.7 | Very high | 94.6 | Very high | 104 Ų | 104 | 58.6 Ų | 58.6 | 49% | 0.486 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 140.9 | 169.7 | -172.3 | 172.4 | 160.5 | 0 | 0 | 110.5 | S86 Y88 | S86-E101 WeakPolarHBondContact CB-OE1 3.35Å; S86-E101 PolarHBondContact OG-OE1 2.8Å; Y88-E101 HydrophobicContact CD1-CB 3.85Å; Y88-E101 HydrophobicContact CD1-CG 4.03Å; Y88-E101 HydrophobicContact CE1-CB 3.67Å; Y88-E101 VanDerWaalsContact CE1-CD 3.5Å; Y88-E101 HydrophobicContact CE1-CG 3.57Å; Y88-E101 WeakPolarHBondContact CE1-OE2 3.38Å; Y88-E101 VanDerWaalsContact CZ-OE2 3.31Å; Y88-E101 VanDerWaalsContact OH-CD 3.22Å; Y88-E101 PolarHBondContact OH-OE1 2.99Å; Y88-E101 PolarHBondContact OH-OE2 3.26Å |
| 102 | H | 95.7 | Very high | 94.7 | Very high | 20 Ų | 20 | 60.5 Ų | 60.5 | 9% | 0.093 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 136.4 | 179.3 | -54.2 | -109.2 | 0 | 0 | 0 | 110.2 | V23 F87 T89 K100 L104 | V23-H102 PolarHBondContact O-CE1 2.77Å; V23-H102 VanDerWaalsContact O-CE1 3.29Å; F87-H102 HydrophobicContact CD1-CB 4.41Å; F87-H102 PolarHBondContact N-O 3.43Å; F87-H102 VanDerWaalsContact N-O 3.08Å; F87-H102 PolarHBondContact O-CD2 3.35Å; F87-H102 PolarHBondContact O-N 2.96Å; T89-H102 PolarHBondContact OG1-NE2 2.82Å; K100-H102 PolarHBondContact O-CD2 2.9Å; H102-L104 HydrophobicContact CB-CD2 4.28Å |
| 103 | D | 94.6 | Very high | 94.7 | Very high | 95 Ų | 95 | 57.6 Ų | 57.6 | 51% | 0.508 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 115.1 | 159.5 | -178 | -1.6 | 0 | 0 | 0 | 108.5 | K105 K107 | D103-K105 WeakPolarHBondContact OD1-CB 3.37Å; D103-K105 PolarHBondContact OD1-N 2.87Å; D103-K107 VanDerWaalsContact O-CG 3.26Å; D103-K107 WeakPolarHBondContact O-CG 3.31Å |
| 104 | L | 96 | Very high | 94.8 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | trans | -90.2 | -5.4 | 179.5 | -65.3 | -176.6 | 0 | 0 | 0 | 113.3 | C25 V27 I33 F87 H102 T106 K107 | C25-L104 HydrophobicContact CB-CD2 3.84Å; V27-L104 HydrophobicContact CG2-CB 4.22Å; V27-L104 HydrophobicContact CG2-CD1 4.41Å; I33-L104 HydrophobicContact CD1-CD1 3.7Å; I33-L104 HydrophobicContact CG1-CD1 4.42Å; I33-L104 HydrophobicContact CG2-CD1 4.43Å; F87-L104 HydrophobicContact CB-CD1 3.74Å; F87-L104 HydrophobicContact CB-CG 3.95Å; F87-L104 HydrophobicContact CD1-CD1 3.87Å; F87-L104 HydrophobicContact CD1-CG 4.33Å; F87-L104 HydrophobicContact CD2-CD1 4.01Å; F87-L104 HydrophobicContact CE1-CD1 4.47Å; F87-L104 HydrophobicContact CG-CD1 3.6Å; F87-L104 HydrophobicContact CG-CG 4.22Å; H102-L104 HydrophobicContact CB-CD2 4.28Å; L104-T106 PolarHBondContact O-N 2.84Å; L104-K107 PolarHBondContact O-N 2.87Å; L104-K107 VanDerWaalsContact O-N 3.12Å | ||
| 105 | K | 94.6 | Very high | 95 | Very high | 99 Ų | 99 | 59.8 Ų | 59.8 | 43% | 0.43 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -55.4 | -49.2 | -173.7 | -177.2 | -179.5 | 175 | -175.2 | 0 | 111.9 | R83 F84 D103 | R83-K105 VanDerWaalsContact CZ-O 3.3Å; R83-K105 PolarHBondContact NE-O 3.36Å; R83-K105 VanDerWaalsContact NE-O 3.07Å; R83-K105 PolarHBondContact NH2-O 2.88Å; R83-K105 WeakPolarHBondContact O-CA 3.47Å; R83-K105 PolarHBondContact O-N 3.12Å; R83-K105 VanDerWaalsContact O-N 3.08Å; F84-K105 HydrophobicContact CD1-CG 4.19Å; F84-K105 HydrophobicContact CE1-CG 4.25Å; D103-K105 WeakPolarHBondContact OD1-CB 3.37Å; D103-K105 PolarHBondContact OD1-N 2.87Å |
| 106 | T | 95.9 | Very high | 95.2 | Very high | 38 Ų | 38 | 55.4 Ų | 55.4 | 23% | 0.233 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -90.8 | -7.7 | -179.6 | 64.3 | 0 | 0 | 0 | 0 | 113.5 | L104 V108 E189 S190 E191 | L104-T106 PolarHBondContact O-N 2.84Å; T106-V108 PolarHBondContact O-N 3.33Å; T106-E189 WeakPolarHBondContact CA-O 3.49Å; T106-S190 WeakPolarHBondContact O-CA 3.48Å; T106-S190 PolarHBondContact O-OG 3Å; T106-E191 VanDerWaalsContact CB-OE1 3.29Å; T106-E191 WeakPolarHBondContact CB-OE1 3.41Å; T106-E191 PolarHBondContact O-N 2.96Å; T106-E191 PolarHBondContact OG1-OE1 2.66Å |
| 107 | K | 96.9 | Very high | 95.4 | Very high | 62 Ų | 62 | 54.4 Ų | 54.4 | 27% | 0.27 | 28% | 0.279 | S | S | . | . | trans | -95 | 59 | -171.5 | -51 | -57.4 | -176.4 | -164.8 | 0 | 111.7 | L26 V27 D103 L104 E191 F192 | L26-K107 HydrophobicContact CD1-CB 4.29Å; L26-K107 WeakPolarHBondContact CD1-O 3.39Å; V27-K107 WeakPolarHBondContact CB-O 3.15Å; V27-K107 PolarHBondContact N-O 3.38Å; D103-K107 VanDerWaalsContact O-CG 3.26Å; D103-K107 WeakPolarHBondContact O-CG 3.31Å; L104-K107 PolarHBondContact O-N 2.87Å; L104-K107 VanDerWaalsContact O-N 3.12Å; K107-E191 IonicContact NZ-OE1 3.25Å; K107-E191 PolarHBondContact NZ-OE1 2.75Å; K107-E191 IonicContact NZ-OE2 2.66Å; K107-E191 PolarHBondContact NZ-OE2 3.15Å; K107-F192 HydrophobicContact CB-CE2 4.48Å; K107-F192 HydrophobicContact CD-CE2 3.87Å | ||
| 108 | V | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 110.8 | 178.6 | -169.8 | 0 | 0 | 0 | 0 | 112.2 | V27 L30 T106 L110 L183 S190 | V27-V108 HydrophobicContact CB-CB 4.36Å; V27-V108 HydrophobicContact CB-CG1 4.22Å; V27-V108 HydrophobicContact CB-CG2 4.04Å; V27-V108 HydrophobicContact CG1-CG1 4.29Å; V27-V108 HydrophobicContact CG2-CG2 4.34Å; V27-V108 CarbonylContact O-C 3.55Å; V27-V108 WeakPolarHBondContact O-CA 3.4Å; L30-V108 HydrophobicContact CD2-CG1 3.74Å; L30-V108 HydrophobicContact CD2-CG2 4.25Å; L30-V108 HydrophobicContact CG-CG1 4.04Å; T106-V108 PolarHBondContact O-N 3.33Å; V108-L110 HydrophobicContact CG1-CD2 4.1Å; V108-L183 HydrophobicContact CB-CD1 3.94Å; V108-L183 HydrophobicContact CG1-CD1 3.81Å; V108-L183 HydrophobicContact CG2-CD1 3.98Å; V108-S190 PolarHBondContact N-OG 3.44Å; V108-S190 WeakPolarHBondContact O-CB 3.28Å; V108-S190 PolarHBondContact O-OG 3.44Å |
| 109 | K | 97.3 | Very high | 95.4 | Very high | 56 Ų | 56 | 57.1 Ų | 57.1 | 24% | 0.243 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 110.5 | 168.1 | -166.9 | 179.5 | -171.7 | -168.5 | 0 | 109.5 | L26 V27 N29 F192 D195 | L26-K109 HydrophobicContact CD1-CB 4.31Å; L26-K109 HydrophobicContact CD2-CB 3.91Å; L26-K109 HydrophobicContact CG-CB 4.26Å; V27-K109 PolarHBondContact O-N 2.91Å; N29-K109 PolarHBondContact N-O 2.83Å; K109-F192 HydrophobicContact CB-CB 4.16Å; K109-F192 HydrophobicContact CG-CB 4.35Å; K109-D195 WeakPolarHBondContact CE-OD2 3.28Å; K109-D195 IonicContact NZ-OD1 2.69Å; K109-D195 PolarHBondContact NZ-OD1 2.74Å; K109-D195 IonicContact NZ-OD2 3.43Å; K109-D195 PolarHBondContact NZ-OD2 2.66Å |
| 110 | L | 96.7 | Very high | 95.1 | Very high | 5 Ų | 5 | 56.7 Ų | 56.7 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 152 | 170.7 | -62.4 | -176.9 | 0 | 0 | 0 | 110.7 | L30 V108 V134 V139 L183 S194 | L30-L110 HydrophobicContact CD1-CD2 4.47Å; L30-L110 HydrophobicContact CG-CD2 4.4Å; V108-L110 HydrophobicContact CG1-CD2 4.1Å; L110-V134 HydrophobicContact CD2-CG2 4.1Å; L110-V139 HydrophobicContact CD1-CG1 4.27Å; L110-V139 HydrophobicContact CD1-CG2 4.42Å; L110-L183 HydrophobicContact CD1-CD2 4.14Å; L110-L183 HydrophobicContact CD1-CG 4.16Å; L110-L183 HydrophobicContact CD2-CD2 4.34Å; L110-L183 HydrophobicContact CD2-CG 4.23Å; L110-L183 HydrophobicContact CG-CG 4.35Å; L110-S194 WeakPolarHBondContact O-CA 3.43Å; L110-S194 WeakPolarHBondContact O-CB 3.21Å |
| 111 | N | 96.6 | Very high | 94.5 | Very high | 61 Ų | 61 | 55.1 Ų | 55.1 | 33% | 0.326 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 152.6 | 166.1 | -72.5 | -20.4 | 0 | 0 | 0 | 110 | N29 T133 | N29-N111 HydrophobicContact CB-CB 4.26Å; N29-N111 WeakPolarHBondContact CB-ND2 3.4Å; N29-N111 VanDerWaalsContact CG-ND2 3.26Å; N29-N111 PolarHBondContact ND2-ND2 2.93Å; N29-N111 WeakPolarHBondContact OD1-CB 2.88Å; N29-N111 PolarHBondContact OD1-N 2.95Å; N111-T133 HydrophobicContact CB-CG2 3.8Å |
| 112 | P | 96.6 | Very high | 93.8 | Very high | 40 Ų | 40 | 56.5 Ų | 56.5 | 26% | 0.26 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 146.8 | 175.7 | 23.3 | -33.7 | 0 | 0 | 0 | 111.8 | T133 D195 | P112-T133 WeakPolarHBondContact O-CG2 3.44Å; P112-D195 WeakPolarHBondContact CB-O 3.39Å |
| 113 | P | 95.6 | Very high | 93.3 | Very high | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.032 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 146.8 | 170.3 | -26.8 | 37 | 0 | 0 | 0 | 112.9 | L116 W130 N131 V179 S197 | P113-L116 HydrophobicContact CB-CD1 4.34Å; P113-W130 HydrophobicContact CB-CB 4.28Å; P113-W130 HydrophobicContact CB-CG 4.22Å; P113-N131 CarbonylContact C-O 3.58Å; P113-N131 WeakPolarHBondContact CA-O 3.13Å; P113-V179 HydrophobicContact CB-CB 4.28Å; P113-V179 HydrophobicContact CB-CG1 4.36Å; P113-V179 HydrophobicContact CG-CB 4.12Å; P113-V179 HydrophobicContact CG-CG1 3.88Å; P113-S197 VanDerWaalsContact O-CB 3.25Å; P113-S197 WeakPolarHBondContact O-CB 3.4Å |
| 114 | T | 94.4 | Very high | 92.8 | Very high | 64 Ų | 64 | 60 Ų | 60 | 39% | 0.393 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 171.2 | -175.3 | 59.3 | 0 | 0 | 0 | 0 | 111.4 | L116 N131 T133 | T114-L116 VanDerWaalsContact C-N 3.29Å; T114-L116 PolarHBondContact O-N 3.44Å; T114-N131 PolarHBondContact N-O 2.71Å; T114-N131 PolarHBondContact O-N 2.89Å; T114-T133 HydrophobicContact CG2-CG2 4.07Å |
| 115 | N | 93.6 | Very high | 92.7 | Very high | 114 Ų | 114 | 61.3 Ų | 61.3 | 61% | 0.61 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.5 | 44.4 | 179.6 | -60 | -5.3 | 0 | 0 | 0 | 113.1 | T117 | N115-T117 PolarHBondContact O-N 2.88Å |
| 116 | L | 94.7 | Very high | 92.5 | Very high | 31 Ų | 31 | 56.6 Ų | 56.6 | 16% | 0.162 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 117.6 | 171.6 | -86.4 | 72.9 | 0 | 0 | 0 | 109.2 | P113 T114 Y129 W130 L177 V179 S197 E198 V200 | P113-L116 HydrophobicContact CB-CD1 4.34Å; T114-L116 VanDerWaalsContact C-N 3.29Å; T114-L116 PolarHBondContact O-N 3.44Å; L116-Y129 CarbonylContact C-O 3.56Å; L116-Y129 WeakPolarHBondContact CA-O 3.26Å; L116-W130 HydrophobicContact CD1-CB 3.83Å; L116-W130 HydrophobicContact CG-CB 4.01Å; L116-L177 HydrophobicContact CD2-CD2 4.13Å; L116-V179 HydrophobicContact CD1-CG2 4.38Å; L116-V179 HydrophobicContact CD2-CB 4.47Å; L116-V179 HydrophobicContact CD2-CG2 3.73Å; L116-V179 HydrophobicContact CG-CG2 4.07Å; L116-S197 WeakPolarHBondContact CD2-OG 3.32Å; L116-E198 WeakPolarHBondContact CD2-O 3.46Å; L116-V200 HydrophobicContact CB-CB 4.05Å; L116-V200 HydrophobicContact CB-CG1 4.05Å; L116-V200 HydrophobicContact CD2-CG1 4.05Å |
| 117 | T | 95.1 | Very high | 92.5 | Very high | 67 Ų | 67 | 57.6 Ų | 57.6 | 41% | 0.411 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 153.1 | 178.3 | 54.1 | 0 | 0 | 0 | 0 | 109.8 | N115 F128 Y129 | N115-T117 PolarHBondContact O-N 2.88Å; T117-F128 CarbonylContact O-C 3.58Å; T117-F128 WeakPolarHBondContact O-CA 3.11Å; T117-Y129 PolarHBondContact N-O 2.92Å; T117-Y129 PolarHBondContact O-N 3.04Å |
| 118 | V | 94 | Very high | 92.4 | Very high | 38 Ų | 38 | 54.7 Ų | 54.7 | 23% | 0.23 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 135.7 | 179.1 | 63.2 | 0 | 0 | 0 | 0 | 109.4 | L126 W127 F128 V200 W202 | V118-L126 HydrophobicContact CG2-CD1 3.4Å; V118-L126 HydrophobicContact CG2-CD2 4.21Å; V118-L126 HydrophobicContact CG2-CG 3.7Å; V118-W127 CarbonylContact C-O 3.55Å; V118-W127 WeakPolarHBondContact CA-O 3.41Å; V118-F128 HydrophobicContact CB-CD1 3.88Å; V118-F128 HydrophobicContact CB-CE1 3.96Å; V118-F128 HydrophobicContact CG2-CD1 3.76Å; V118-F128 HydrophobicContact CG2-CE1 3.55Å; V118-F128 HydrophobicContact CG2-CG 4.39Å; V118-F128 HydrophobicContact CG2-CZ 4.01Å; V118-V200 HydrophobicContact CB-CG2 3.89Å; V118-V200 HydrophobicContact CG1-CG2 3.66Å; V118-W202 HydrophobicContact CG1-CB 4.11Å; V118-W202 HydrophobicContact CG2-CB 3.97Å; V118-W202 HydrophobicContact CG2-CG 4.13Å |
| 119 | K | 92 | Very high | 92.3 | Very high | 130 Ų | 130 | 58.7 Ų | 58.7 | 57% | 0.565 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 127.7 | 178.1 | -64.8 | -176.2 | 178.8 | -179.8 | 0 | 109.1 | W127 Y129 | K119-W127 PolarHBondContact N-O 2.86Å; K119-W127 PolarHBondContact O-N 3.02Å; K119-Y129 HydrophobicContact CB-CE2 4.35Å; K119-Y129 HydrophobicContact CD-CD2 4.46Å; K119-Y129 HydrophobicContact CD-CE2 4.09Å; K119-Y129 HydrophobicContact CG-CE2 4.38Å |
| 120 | N | 88.9 | Confident | 92.2 | Very high | 95 Ų | 95 | 56.1 Ų | 56.1 | 51% | 0.508 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 114.4 | 162.8 | -173.7 | 21.3 | 0 | 0 | 0 | 106.8 | L126 W202 | N120-L126 HydrophobicContact CB-CD1 4.5Å; N120-W202 HydrophobicContact CB-CZ2 4.47Å |
| 121 | A | 82.3 | Confident | 92.1 | Very high | 34 Ų | 34 | 59.8 Ų | 59.8 | 28% | 0.281 | 33% | 0.326 | S | S | . | . | trans | -95.8 | 170.2 | -176 | 0 | 0 | 0 | 0 | 0 | 111.7 | D123 L124 N125 | A121-D123 VanDerWaalsContact CB-OD1 3.26Å; A121-D123 WeakPolarHBondContact CB-OD1 3.38Å; A121-D123 PolarHBondContact O-N 3.41Å; A121-L124 PolarHBondContact O-N 2.87Å; A121-L124 VanDerWaalsContact O-N 3.11Å; A121-N125 PolarHBondContact N-O 2.89Å; A121-N125 VanDerWaalsContact N-O 3.13Å | ||
| 122 | S | 80.9 | Confident | 91.8 | Very high | 132 Ų | 132 | 57.8 Ų | 57.8 | 92% | 0.923 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -14.3 | -177.8 | 52.2 | 0 | 0 | 0 | 0 | 114 | L124 | S122-L124 PolarHBondContact O-N 2.94Š|
| 123 | D | 86.1 | Confident | 91.5 | Very high | 67 Ų | 67 | 58.2 Ų | 58.2 | 36% | 0.358 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 7.2 | 173.8 | 67.7 | -14.5 | 0 | 0 | 0 | 113.3 | A121 N125 W127 | A121-D123 VanDerWaalsContact CB-OD1 3.26Å; A121-D123 WeakPolarHBondContact CB-OD1 3.38Å; A121-D123 PolarHBondContact O-N 3.41Å; D123-N125 PolarHBondContact O-N 3.08Å; D123-N125 PolarHBondContact O-ND2 2.77Å; D123-N125 WeakPolarHBondContact OD1-CB 3.39Å; D123-N125 PolarHBondContact OD1-N 3.08Å; D123-N125 WeakPolarHBondContact OD2-CB 3.47Å; D123-N125 PolarHBondContact OD2-ND2 2.93Å; D123-W127 PolarHBondContact OD1-NE1 2.69Å; D123-W127 PolarHBondContact OD2-NE1 2.69Å |
| 124 | L | 84.6 | Confident | 91.1 | Very high | 121 Ų | 121 | 59.2 Ų | 59.2 | 63% | 0.634 | 32% | 0.324 | S | S | * | . | S | Bend | trans | 60.9 | 15.7 | -174.1 | -53.8 | 174.1 | 0 | 0 | 0 | 114 | A121 S122 P169 | A121-L124 PolarHBondContact O-N 2.87Å; A121-L124 VanDerWaalsContact O-N 3.11Å; S122-L124 PolarHBondContact O-N 2.94Å; L124-P169 WeakPolarHBondContact O-CD 2.97Å |
| 125 | N | 91.9 | Very high | 90.6 | Very high | 29 Ų | 29 | 62.9 Ų | 62.9 | 16% | 0.155 | 34% | 0.34 | C | S | . | . | trans | -101.4 | 153.6 | 177.1 | -58.3 | -50.8 | 0 | 0 | 0 | 111.6 | A121 D123 C165 S167 L168 | A121-N125 PolarHBondContact N-O 2.89Å; A121-N125 VanDerWaalsContact N-O 3.13Å; D123-N125 PolarHBondContact O-N 3.08Å; D123-N125 PolarHBondContact O-ND2 2.77Å; D123-N125 WeakPolarHBondContact OD1-CB 3.39Å; D123-N125 PolarHBondContact OD1-N 3.08Å; D123-N125 WeakPolarHBondContact OD2-CB 3.47Å; D123-N125 PolarHBondContact OD2-ND2 2.93Å; N125-C165 VanDerWaalsContact CB-SG 3.58Å; N125-S167 VanDerWaalsContact OD1-CA 3.23Å; N125-S167 WeakPolarHBondContact OD1-CA 3.47Å; N125-L168 PolarHBondContact OD1-N 3.4Å | ||
| 126 | L | 92.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 107.8 | 178.5 | -167.4 | 64.4 | 0 | 0 | 0 | 110 | V118 N120 F128 H166 P169 Y175 W202 | V118-L126 HydrophobicContact CG2-CD1 3.4Å; V118-L126 HydrophobicContact CG2-CD2 4.21Å; V118-L126 HydrophobicContact CG2-CG 3.7Å; N120-L126 HydrophobicContact CB-CD1 4.5Å; L126-F128 HydrophobicContact CB-CE2 4.32Å; L126-F128 HydrophobicContact CD2-CE1 4.42Å; L126-F128 HydrophobicContact CD2-CE2 3.69Å; L126-F128 HydrophobicContact CD2-CZ 3.45Å; L126-F128 VanDerWaalsContact CD2-CZ 3.45Å; L126-F128 HydrophobicContact CG-CD2 4.49Å; L126-F128 HydrophobicContact CG-CE2 3.74Å; L126-F128 HydrophobicContact CG-CZ 3.85Å; L126-H166 HydrophobicContact CB-CB 4.28Å; L126-H166 PolarHBondContact N-O 2.85Å; L126-H166 PolarHBondContact O-N 2.93Å; L126-P169 HydrophobicContact CB-CB 4.11Å; L126-P169 HydrophobicContact CB-CG 4.07Å; L126-P169 HydrophobicContact CD2-CB 4.39Å; L126-Y175 HydrophobicContact CD2-CG 4.43Å; L126-W202 HydrophobicContact CD1-CB 4.43Å; L126-W202 HydrophobicContact CD1-CD2 3.55Å; L126-W202 HydrophobicContact CD1-CE3 4.2Å; L126-W202 HydrophobicContact CD1-CG 3.66Å; L126-W202 HydrophobicContact CD1-CZ2 4.11Å; L126-W202 HydrophobicContact CD2-CB 4.11Å; L126-W202 HydrophobicContact CD2-CD2 3.68Å; L126-W202 HydrophobicContact CD2-CE3 3.57Å; L126-W202 HydrophobicContact CD2-CG 3.95Å; L126-W202 HydrophobicContact CD2-CZ3 4.22Å; L126-W202 HydrophobicContact CG-CD2 4.28Å; L126-W202 HydrophobicContact CG-CG 4.44Å |
| 127 | W | 94.3 | Very high | 89.6 | Confident | 58 Ų | 58 | 63.6 Ų | 63.6 | 22% | 0.22 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 122.4 | -178.4 | -70.5 | 85.2 | 0 | 0 | 0 | 111.2 | V118 K119 D123 Y129 H163 C165 | V118-W127 CarbonylContact C-O 3.55Å; V118-W127 WeakPolarHBondContact CA-O 3.41Å; K119-W127 PolarHBondContact N-O 2.86Å; K119-W127 PolarHBondContact O-N 3.02Å; D123-W127 PolarHBondContact OD1-NE1 2.69Å; D123-W127 PolarHBondContact OD2-NE1 2.69Å; W127-Y129 HydrophobicContact CB-CD2 4.43Å; W127-Y129 HydrophobicContact CB-CE2 3.51Å; W127-H163 AromaticContact CZ3-CD2 3.72Å; W127-C165 HydrophobicContact CD2-CB 3.99Å; W127-C165 HydrophobicContact CE3-CB 3.85Å; W127-C165 HydrophobicContact CH2-CB 3.83Å; W127-C165 HydrophobicContact CZ2-CB 3.97Å; W127-C165 HydrophobicContact CZ3-CB 3.77Å |
| 128 | F | 95.2 | Very high | 89.3 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 0% | 0.004 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 135.6 | 172.8 | -60.5 | -92.6 | 0 | 0 | 0 | 109.1 | T117 V118 L126 I145 H163 Y164 H166 L177 V200 | T117-F128 CarbonylContact O-C 3.58Å; T117-F128 WeakPolarHBondContact O-CA 3.11Å; V118-F128 HydrophobicContact CB-CD1 3.88Å; V118-F128 HydrophobicContact CB-CE1 3.96Å; V118-F128 HydrophobicContact CG2-CD1 3.76Å; V118-F128 HydrophobicContact CG2-CE1 3.55Å; V118-F128 HydrophobicContact CG2-CG 4.39Å; V118-F128 HydrophobicContact CG2-CZ 4.01Å; L126-F128 HydrophobicContact CB-CE2 4.32Å; L126-F128 HydrophobicContact CD2-CE1 4.42Å; L126-F128 HydrophobicContact CD2-CE2 3.69Å; L126-F128 HydrophobicContact CD2-CZ 3.45Å; L126-F128 VanDerWaalsContact CD2-CZ 3.45Å; L126-F128 HydrophobicContact CG-CD2 4.49Å; L126-F128 HydrophobicContact CG-CE2 3.74Å; L126-F128 HydrophobicContact CG-CZ 3.85Å; F128-I145 HydrophobicContact CE2-CD1 4.21Å; F128-I145 HydrophobicContact CZ-CD1 4.31Å; F128-H163 CarbonylContact O-C 3.57Å; F128-H163 WeakPolarHBondContact O-CA 3.43Å; F128-H163 WeakPolarHBondContact O-CB 3.41Å; F128-Y164 AromaticContact CD2-CD1 3.91Å; F128-Y164 HydrophobicContact CD2-CD1 3.91Å; F128-Y164 HydrophobicContact CE2-CD1 4.47Å; F128-Y164 PolarHBondContact N-O 2.72Å; F128-Y164 PolarHBondContact O-N 2.92Å; F128-H166 HydrophobicContact CE2-CB 4.11Å; F128-L177 HydrophobicContact CB-CD1 4.22Å; F128-L177 HydrophobicContact CB-CD2 4.27Å; F128-L177 HydrophobicContact CD1-CB 3.94Å; F128-L177 HydrophobicContact CD1-CD1 4.05Å; F128-L177 HydrophobicContact CD1-CD2 4.14Å; F128-L177 HydrophobicContact CD1-CG 4.27Å; F128-L177 HydrophobicContact CD2-CD1 3.79Å; F128-L177 HydrophobicContact CE1-CB 3.74Å; F128-L177 HydrophobicContact CE1-CD1 4.31Å; F128-L177 HydrophobicContact CE1-CG 4.49Å; F128-L177 HydrophobicContact CE2-CD1 4.06Å; F128-L177 HydrophobicContact CG-CD1 3.76Å; F128-L177 HydrophobicContact CG-CD2 4.28Å; F128-L177 HydrophobicContact CG-CG 4.41Å; F128-L177 HydrophobicContact CZ-CB 4.17Å; F128-L177 HydrophobicContact CZ-CD1 4.3Å; F128-V200 HydrophobicContact CD1-CG1 3.63Å; F128-V200 HydrophobicContact CE1-CG1 3.93Å |
| 129 | Y | 95.6 | Very high | 89.3 | Confident | 84 Ų | 84 | 58.8 Ų | 58.8 | 33% | 0.329 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 146.7 | 178.1 | -57.2 | -89.5 | 0 | 0 | 0 | 110.1 | L116 T117 K119 W127 K162 H163 | L116-Y129 CarbonylContact C-O 3.56Å; L116-Y129 WeakPolarHBondContact CA-O 3.26Å; T117-Y129 PolarHBondContact N-O 2.92Å; T117-Y129 PolarHBondContact O-N 3.04Å; K119-Y129 HydrophobicContact CB-CE2 4.35Å; K119-Y129 HydrophobicContact CD-CD2 4.46Å; K119-Y129 HydrophobicContact CD-CE2 4.09Å; K119-Y129 HydrophobicContact CG-CE2 4.38Å; W127-Y129 HydrophobicContact CB-CD2 4.43Å; W127-Y129 HydrophobicContact CB-CE2 3.51Å; Y129-K162 WeakPolarHBondContact CA-O 3.41Å; Y129-H163 HydrophobicContact CD1-CB 3.59Å; Y129-H163 HydrophobicContact CE1-CB 3.8Å; Y129-H163 HydrophobicContact CG-CB 4.41Å |
| 130 | W | 95.3 | Very high | 89.3 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 1% | 0.011 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 160.5 | 176.3 | 60.2 | 90.5 | 0 | 0 | 0 | 111.9 | P113 L116 V143 V157 G161 K162 H163 V179 | P113-W130 HydrophobicContact CB-CB 4.28Å; P113-W130 HydrophobicContact CB-CG 4.22Å; L116-W130 HydrophobicContact CD1-CB 3.83Å; L116-W130 HydrophobicContact CG-CB 4.01Å; W130-V143 HydrophobicContact CH2-CG1 3.82Å; W130-V143 HydrophobicContact CZ3-CG1 3.99Å; W130-V157 HydrophobicContact CH2-CB 4.49Å; W130-V157 HydrophobicContact CH2-CG1 3.97Å; W130-V157 HydrophobicContact CH2-CG2 3.74Å; W130-V157 HydrophobicContact CZ2-CB 4.46Å; W130-V157 HydrophobicContact CZ2-CG1 4.02Å; W130-V157 HydrophobicContact CZ2-CG2 3.95Å; W130-G161 VanDerWaalsContact CZ2-O 3.31Å; W130-G161 WeakPolarHBondContact CZ2-O 3.06Å; W130-K162 PolarHBondContact N-O 2.86Å; W130-K162 WeakPolarHBondContact O-CB 3.42Å; W130-H163 VanDerWaalsContact CH2-O 3.28Å; W130-H163 WeakPolarHBondContact CH2-O 3.48Å; W130-H163 VanDerWaalsContact CZ3-CA 3.47Å; W130-V179 HydrophobicContact CB-CG2 4.43Å; W130-V179 HydrophobicContact CD2-CB 4.4Å; W130-V179 HydrophobicContact CD2-CG1 3.96Å; W130-V179 HydrophobicContact CD2-CG2 3.7Å; W130-V179 HydrophobicContact CE3-CG2 3.62Å; W130-V179 HydrophobicContact CG-CG1 4.26Å; W130-V179 HydrophobicContact CG-CG2 4.07Å; W130-V179 HydrophobicContact CZ2-CG1 4.06Å; W130-V179 HydrophobicContact CZ3-CG2 4.1Å |
| 131 | N | 93.7 | Very high | 89.6 | Confident | 82 Ų | 82 | 49.7 Ų | 49.7 | 44% | 0.439 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 134.6 | 169.9 | -72.2 | -18.2 | 0 | 0 | 0 | 110.1 | P113 T114 | P113-N131 CarbonylContact C-O 3.58Å; P113-N131 WeakPolarHBondContact CA-O 3.13Å; T114-N131 PolarHBondContact N-O 2.71Å; T114-N131 PolarHBondContact O-N 2.89Å |
| 132 | N | 91.6 | Very high | 90.3 | Very high | 18 Ų | 18 | 51.4 Ų | 51.4 | 10% | 0.096 | 28% | 0.279 | C | S | . | . | trans | -78.2 | 141.1 | 166.3 | -64.2 | -26.7 | 0 | 0 | 0 | 108.7 | V134 V139 | N132-V134 WeakPolarHBondContact CB-O 3.34Å; N132-V134 PolarHBondContact O-N 2.83Å; N132-V139 WeakPolarHBondContact ND2-CG1 3.3Å | ||
| 133 | T | 88.6 | Confident | 91 | Very high | 49 Ų | 49 | 45.1 Ų | 45.1 | 30% | 0.301 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -63.8 | -25.8 | 176.7 | 50.1 | 0 | 0 | 0 | 0 | 113 | N29 N111 P112 T114 | N29-T133 PolarHBondContact OD1-OG1 3.31Å; N111-T133 HydrophobicContact CB-CG2 3.8Å; P112-T133 WeakPolarHBondContact O-CG2 3.44Å; T114-T133 HydrophobicContact CG2-CG2 4.07Å |
| 134 | V | 87.9 | Confident | 91.6 | Very high | 27 Ų | 27 | 44.6 Ų | 44.6 | 16% | 0.164 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -114.1 | 130.1 | 172.3 | -166.5 | 0 | 0 | 0 | 0 | 109.8 | N29 L30 L110 N132 L136 | N29-V134 VanDerWaalsContact O-CG2 3.28Å; N29-V134 WeakPolarHBondContact O-CG2 3.45Å; L30-V134 HydrophobicContact CD1-CG1 4.13Å; L110-V134 HydrophobicContact CD2-CG2 4.1Å; N132-V134 WeakPolarHBondContact CB-O 3.34Å; N132-V134 PolarHBondContact O-N 2.83Å; V134-L136 VanDerWaalsContact C-N 3.29Å; V134-L136 HydrophobicContact CG1-CB 4.49Å; V134-L136 HydrophobicContact CG1-CD1 3.77Å; V134-L136 HydrophobicContact CG1-CG 3.84Å; V134-L136 PolarHBondContact O-N 3.28Å |
| 135 | N | 83.6 | Confident | 92.1 | Very high | 140 Ų | 140 | 39.1 Ų | 39.1 | 75% | 0.749 | 20% | 0.199 | S | C | * | . | trans | -83.9 | 69.8 | 177.6 | -164.6 | 29.7 | 0 | 0 | 0 | 111.9 | K162 | N135-K162 PolarHBondContact OD1-NZ 2.02Š| ||
| 136 | L | 83.9 | Confident | 92.2 | Very high | 60 Ų | 60 | 40.8 Ų | 40.8 | 31% | 0.314 | 20% | 0.203 | S | C | . | . | trans | -115.7 | 141.3 | 174.7 | -78.5 | 170.2 | 0 | 0 | 0 | 110.9 | L30 V134 C138 V139 L183 | L30-L136 HydrophobicContact CD1-CD1 3.48Å; L30-L136 VanDerWaalsContact CD1-CD1 3.48Å; V134-L136 VanDerWaalsContact C-N 3.29Å; V134-L136 HydrophobicContact CG1-CB 4.49Å; V134-L136 HydrophobicContact CG1-CD1 3.77Å; V134-L136 HydrophobicContact CG1-CG 3.84Å; V134-L136 PolarHBondContact O-N 3.28Å; L136-C138 VanDerWaalsContact C-N 3.27Å; L136-C138 PolarHBondContact O-N 3.31Å; L136-V139 HydrophobicContact CB-CG2 3.94Å; L136-L183 HydrophobicContact CD1-CD2 3.98Å | ||
| 137 | S | 84.2 | Confident | 92.2 | Very high | 101 Ų | 101 | 44.7 Ų | 44.7 | 71% | 0.706 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -20.5 | 175.7 | 52.8 | 0 | 0 | 0 | 0 | 113.4 | V139 | S137-V139 VanDerWaalsContact C-N 3.33Å; S137-V139 PolarHBondContact O-N 2.94Å |
| 138 | C | 89.1 | Confident | 92 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 36.4 | 178.8 | 57.2 | 0 | 0 | 0 | 0 | 113 | L136 D184 C187 | L136-C138 VanDerWaalsContact C-N 3.27Å; L136-C138 PolarHBondContact O-N 3.31Å; C138-D184 HydrophobicContact CB-CB 4.49Å; C138-D184 WeakPolarHBondContact O-CB 3.39Å; C138-D184 PolarHBondContact O-N 2.78Å; C138-C187 HydrophobicContact CB-CB 3.6Å; C138-C187 WeakPolarHBondContact CB-SG 3.37Å; C138-C187 WeakPolarHBondContact SG-CB 3.49Å; C138-C187 CovalentContact SG-SG 2.01Å; C138-C187 PolarHBondContact SG-SG 2.58Å |
| 139 | V | 92.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 118.7 | 169.5 | -179.1 | 0 | 0 | 0 | 0 | 108.1 | L110 N132 L136 S137 G160 R182 L183 | L110-V139 HydrophobicContact CD1-CG1 4.27Å; L110-V139 HydrophobicContact CD1-CG2 4.42Å; N132-V139 WeakPolarHBondContact ND2-CG1 3.3Å; L136-V139 HydrophobicContact CB-CG2 3.94Å; S137-V139 VanDerWaalsContact C-N 3.33Å; S137-V139 PolarHBondContact O-N 2.94Å; V139-G160 PolarHBondContact O-N 3.45Å; V139-G160 VanDerWaalsContact O-N 3.1Å; V139-R182 WeakPolarHBondContact CA-O 3.39Å; V139-L183 HydrophobicContact CG2-CD2 4.31Å |
| 140 | E | 93.5 | Very high | 91.4 | Very high | 33 Ų | 33 | 53.1 Ų | 53.1 | 15% | 0.154 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 150.8 | 165.6 | 62.5 | 158.9 | 161.7 | 0 | 0 | 110.1 | S181 R182 D184 W193 | E140-S181 VanDerWaalsContact O-CA 3.3Å; E140-S181 WeakPolarHBondContact O-CA 3.39Å; E140-R182 HydrophobicContact CG-CB 4.04Å; E140-R182 PolarHBondContact N-O 2.82Å; E140-R182 PolarHBondContact O-N 3.48Å; E140-R182 IonicContact OE1-CZ 3.77Å; E140-R182 IonicContact OE1-NE 2.74Å; E140-R182 PolarHBondContact OE1-NE 3.42Å; E140-R182 IonicContact OE1-NH2 2.8Å; E140-R182 PolarHBondContact OE1-NH2 2.9Å; E140-D184 HydrophobicContact CB-CB 4.44Å; E140-D184 HydrophobicContact CG-CB 4.47Å; E140-W193 HydrophobicContact CG-CH2 3.82Å; E140-W193 HydrophobicContact CG-CZ3 4.45Å; E140-W193 WeakPolarHBondContact OE1-CH2 3.41Å; E140-W193 WeakPolarHBondContact OE1-CZ2 3.27Å; E140-W193 WeakPolarHBondContact OE2-CH2 3.36Å |
| 141 | S | 95 | Very high | 91.4 | Very high | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.014 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 144.4 | 179.2 | -65.9 | 0 | 0 | 0 | 0 | 110.7 | V157 K180 | S141-V157 WeakPolarHBondContact O-CB 3.44Å; S141-V157 WeakPolarHBondContact O-CG2 3.45Å; S141-V157 PolarHBondContact O-N 3.39Å; S141-V157 VanDerWaalsContact O-N 3.1Å; S141-K180 WeakPolarHBondContact CA-O 3.31Å |
| 142 | R | 96.1 | Very high | 91.5 | Very high | 70 Ų | 70 | 60.4 Ų | 60.4 | 26% | 0.264 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 133.6 | 166.2 | -70 | -179.6 | -168.7 | -174 | 9.4 | 108.5 | T154 L155 V179 K180 W193 | R142-T154 HydrophobicContact CB-CG2 4.49Å; R142-L155 WeakPolarHBondContact CA-O 3.49Å; R142-V179 WeakPolarHBondContact O-CA 3.08Å; R142-K180 HydrophobicContact CB-CG 4.38Å; R142-K180 PolarHBondContact N-O 2.86Å; R142-K180 PolarHBondContact O-N 2.86Å; R142-W193 HydrophobicContact CB-CH2 4.39Å; R142-W193 HydrophobicContact CB-CZ3 4.14Å; R142-W193 HydrophobicContact CG-CH2 3.58Å; R142-W193 HydrophobicContact CG-CZ2 4.26Å; R142-W193 HydrophobicContact CG-CZ3 3.83Å; R142-W193 VanDerWaalsContact CZ-CZ2 3.41Å; R142-W193 VanDerWaalsContact NE-CH2 3.32Å |
| 143 | V | 97.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 147.5 | 169.4 | -57.3 | 0 | 0 | 0 | 0 | 108.9 | W130 T154 L155 V157 Y164 L177 Q178 V179 | W130-V143 HydrophobicContact CH2-CG1 3.82Å; W130-V143 HydrophobicContact CZ3-CG1 3.99Å; V143-T154 CarbonylContact O-C 3.33Å; V143-T154 WeakPolarHBondContact O-CA 3.43Å; V143-L155 HydrophobicContact CG2-CB 3.79Å; V143-L155 HydrophobicContact CG2-CD1 4.48Å; V143-L155 PolarHBondContact N-O 2.85Å; V143-L155 PolarHBondContact O-N 3.23Å; V143-V157 HydrophobicContact CG1-CG2 3.71Å; V143-Y164 HydrophobicContact CG1-CG 4.39Å; V143-Y164 HydrophobicContact CG2-CD1 4.22Å; V143-Y164 HydrophobicContact CG2-CD2 4.08Å; V143-Y164 HydrophobicContact CG2-CE1 4.5Å; V143-Y164 HydrophobicContact CG2-CE2 4.39Å; V143-Y164 HydrophobicContact CG2-CG 4.01Å; V143-L177 HydrophobicContact CB-CD1 4.09Å; V143-L177 HydrophobicContact CB-CG 4.34Å; V143-L177 HydrophobicContact CG1-CD1 4.36Å; V143-L177 HydrophobicContact CG1-CD2 4.43Å; V143-L177 HydrophobicContact CG2-CD1 4.46Å; V143-Q178 CarbonylContact C-O 3.56Å; V143-Q178 WeakPolarHBondContact CA-O 3.43Å; V143-V179 HydrophobicContact CG1-CG1 4.38Å; V143-V179 HydrophobicContact CG1-CG2 4.1Å |
| 144 | R | 96.8 | Very high | 92.1 | Very high | 55 Ų | 55 | 66 Ų | 66 | 21% | 0.208 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 136.3 | 156.3 | 66.3 | 176.7 | -177.9 | -166.5 | -2.7 | 109.1 | W152 E153 L177 Q178 W196 | R144-W152 HydrophobicContact CB-CE3 3.86Å; R144-W152 HydrophobicContact CB-CZ3 4.47Å; R144-W152 HydrophobicContact CG-CD2 4.12Å; R144-W152 HydrophobicContact CG-CE3 3.5Å; R144-W152 VanDerWaalsContact CG-CE3 3.5Å; R144-W152 HydrophobicContact CG-CZ3 3.77Å; R144-E153 CarbonylContact C-O 3.56Å; R144-E153 WeakPolarHBondContact CA-O 3.34Å; R144-L177 VanDerWaalsContact O-CA 3.31Å; R144-L177 WeakPolarHBondContact O-CA 3.48Å; R144-Q178 HydrophobicContact CG-CB 3.98Å; R144-Q178 PolarHBondContact N-O 2.95Å; R144-Q178 PolarHBondContact O-N 2.8Å; R144-W196 HydrophobicContact CB-CH2 3.68Å; R144-W196 HydrophobicContact CB-CZ2 4.3Å; R144-W196 HydrophobicContact CB-CZ3 3.85Å; R144-W196 HydrophobicContact CG-CD2 4.2Å; R144-W196 HydrophobicContact CG-CE3 3.79Å; R144-W196 HydrophobicContact CG-CH2 3.71Å; R144-W196 HydrophobicContact CG-CZ2 4.13Å; R144-W196 HydrophobicContact CG-CZ3 3.53Å |
| 145 | I | 95.3 | Very high | 92.4 | Very high | 6 Ų | 6 | 66.9 Ų | 66.9 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 142.6 | 177.5 | -167.1 | 168.5 | 0 | 0 | 0 | 109.3 | F128 E153 L155 Y164 H166 Y175 E176 L177 | F128-I145 HydrophobicContact CE2-CD1 4.21Å; F128-I145 HydrophobicContact CZ-CD1 4.31Å; I145-E153 HydrophobicContact CG2-CB 4.28Å; I145-E153 PolarHBondContact N-O 3.33Å; I145-E153 PolarHBondContact O-N 2.87Å; I145-L155 HydrophobicContact CG2-CD1 4.44Å; I145-Y164 HydrophobicContact CD1-CE1 4.26Å; I145-H166 HydrophobicContact CD1-CB 4.4Å; I145-Y175 HydrophobicContact CD1-CD1 3.94Å; I145-Y175 HydrophobicContact CG1-CD1 4.4Å; I145-E176 CarbonylContact C-O 3.56Å; I145-E176 WeakPolarHBondContact CA-O 3.43Å; I145-L177 HydrophobicContact CB-CD1 4.34Å; I145-L177 HydrophobicContact CD1-CD1 4.28Å; I145-L177 HydrophobicContact CG1-CB 4.39Å; I145-L177 HydrophobicContact CG1-CD1 4.5Å |
| 146 | R | 94.1 | Very high | 92.8 | Very high | 65 Ų | 65 | 68.5 Ų | 68.5 | 25% | 0.245 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 147.4 | 166.3 | 62.2 | 174.7 | 170.6 | 170.4 | -2.1 | 110.2 | W152 Y175 E176 | R146-W152 HydrophobicContact CB-CD2 4.07Å; R146-W152 HydrophobicContact CB-CE3 3.88Å; R146-W152 HydrophobicContact CB-CZ3 4.22Å; R146-W152 HydrophobicContact CG-CD2 4.14Å; R146-W152 HydrophobicContact CG-CE3 3.9Å; R146-W152 HydrophobicContact CG-CH2 3.85Å; R146-W152 HydrophobicContact CG-CZ2 4.06Å; R146-W152 HydrophobicContact CG-CZ3 3.76Å; R146-W152 VanDerWaalsContact NE-CZ2 3.31Å; R146-Y175 WeakPolarHBondContact O-CA 3.23Å; R146-E176 HydrophobicContact CG-CB 3.88Å; R146-E176 IonicContact CZ-OE1 3.36Å; R146-E176 IonicContact CZ-OE2 3.42Å; R146-E176 PolarHBondContact N-O 3.44Å; R146-E176 IonicContact NE-OE1 3.01Å; R146-E176 PolarHBondContact NE-OE1 2.82Å; R146-E176 IonicContact NE-OE2 3.69Å; R146-E176 IonicContact NH2-OE1 3.64Å; R146-E176 PolarHBondContact NH2-OE1 2.93Å; R146-E176 IonicContact NH2-OE2 2.74Å; R146-E176 PolarHBondContact NH2-OE2 2.86Å; R146-E176 PolarHBondContact O-N 3.32Å |
| 147 | K | 92.8 | Very high | 93.2 | Very high | 82 Ų | 82 | 66.7 Ų | 66.7 | 36% | 0.357 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 117 | 173.5 | -174.3 | -175.2 | -179.1 | -177.6 | 0 | 108.1 | N150 A173 R174 Y175 | K147-N150 WeakPolarHBondContact O-CB 3.4Å; K147-N150 PolarHBondContact O-N 3.1Å; K147-N150 PolarHBondContact O-ND2 3.02Å; K147-A173 HydrophobicContact CD-CB 4.18Å; K147-A173 HydrophobicContact CG-CB 3.82Å; K147-R174 CarbonylContact C-O 3.53Å; K147-R174 WeakPolarHBondContact CA-O 3.22Å; K147-Y175 HydrophobicContact CB-CD1 4.41Å; K147-Y175 HydrophobicContact CB-CE1 4.21Å; K147-Y175 HydrophobicContact CD-CE1 4.24Å; K147-Y175 HydrophobicContact CG-CD1 4.48Å; K147-Y175 HydrophobicContact CG-CE1 4.02Å |
| 148 | N | 89.4 | Confident | 93.2 | Very high | 72 Ų | 72 | 65.6 Ų | 65.6 | 39% | 0.385 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | -142.1 | -167.1 | -53.3 | -24.4 | 0 | 0 | 0 | 110 | N150 A173 R174 | N148-N150 PolarHBondContact O-N 3.31Å; N148-A173 WeakPolarHBondContact OD1-CA 3.48Å; N148-R174 PolarHBondContact N-O 2.92Å; N148-R174 PolarHBondContact OD1-N 2.9Å |
| 149 | D | 86.8 | Confident | 92.8 | Very high | 142 Ų | 142 | 70.7 Ų | 70.7 | 76% | 0.759 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 21 | 178.4 | -56.2 | -64.8 | 0 | 0 | 0 | 113.9 | ||
| 150 | N | 91.8 | Very high | 92.1 | Very high | 106 Ų | 106 | 72.1 Ų | 72.1 | 57% | 0.567 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -69 | 164.8 | 173.8 | -67.3 | -10.4 | 0 | 0 | 0 | 111.7 | K147 N148 | K147-N150 WeakPolarHBondContact O-CB 3.4Å; K147-N150 PolarHBondContact O-N 3.1Å; K147-N150 PolarHBondContact O-ND2 3.02Å; N148-N150 PolarHBondContact O-N 3.31Å |
| 151 | N | 94.9 | Very high | 91.7 | Very high | 154 Ų | 154 | 70.9 Ų | 70.9 | 82% | 0.824 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 149.2 | 171.8 | -69 | -34.1 | 0 | 0 | 0 | 112.1 | E153 | N151-E153 PolarHBondContact O-N 3.31Š|
| 152 | W | 96.3 | Very high | 91.6 | Very high | 83 Ų | 83 | 74.4 Ų | 74.4 | 31% | 0.314 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 123.4 | 175.2 | -68.5 | 99.3 | 0 | 0 | 0 | 111.8 | R144 R146 E176 Q178 | R144-W152 HydrophobicContact CB-CE3 3.86Å; R144-W152 HydrophobicContact CB-CZ3 4.47Å; R144-W152 HydrophobicContact CG-CD2 4.12Å; R144-W152 HydrophobicContact CG-CE3 3.5Å; R144-W152 VanDerWaalsContact CG-CE3 3.5Å; R144-W152 HydrophobicContact CG-CZ3 3.77Å; R146-W152 HydrophobicContact CB-CD2 4.07Å; R146-W152 HydrophobicContact CB-CE3 3.88Å; R146-W152 HydrophobicContact CB-CZ3 4.22Å; R146-W152 HydrophobicContact CG-CD2 4.14Å; R146-W152 HydrophobicContact CG-CE3 3.9Å; R146-W152 HydrophobicContact CG-CH2 3.85Å; R146-W152 HydrophobicContact CG-CZ2 4.06Å; R146-W152 HydrophobicContact CG-CZ3 3.76Å; R146-W152 VanDerWaalsContact NE-CZ2 3.31Å; W152-E176 HydrophobicContact CH2-CB 4.42Å; W152-E176 HydrophobicContact CH2-CG 4.01Å; W152-E176 WeakPolarHBondContact CH2-OE1 3.28Å; W152-E176 WeakPolarHBondContact CZ3-O 3.11Å; W152-Q178 HydrophobicContact CH2-CG 4.41Å |
| 153 | E | 95.8 | Very high | 91.4 | Very high | 107 Ų | 107 | 75 Ų | 75 | 50% | 0.5 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 132.7 | 166 | -175.4 | 175.1 | -172.4 | 0 | 0 | 109 | R144 I145 N151 L155 | R144-E153 CarbonylContact C-O 3.56Å; R144-E153 WeakPolarHBondContact CA-O 3.34Å; I145-E153 HydrophobicContact CG2-CB 4.28Å; I145-E153 PolarHBondContact N-O 3.33Å; I145-E153 PolarHBondContact O-N 2.87Å; N151-E153 PolarHBondContact O-N 3.31Å; E153-L155 HydrophobicContact CG-CD2 4.12Å; E153-L155 HydrophobicContact CG-CG 4.25Å |
| 154 | T | 96.4 | Very high | 91.3 | Very high | 79 Ų | 79 | 77 Ų | 77 | 49% | 0.485 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 124 | 179 | -60.7 | 0 | 0 | 0 | 0 | 110.5 | R142 V143 W196 | R142-T154 HydrophobicContact CB-CG2 4.49Å; V143-T154 CarbonylContact O-C 3.33Å; V143-T154 WeakPolarHBondContact O-CA 3.43Å; T154-W196 HydrophobicContact CG2-CH2 4.34Å |
| 155 | L | 94.9 | Very high | 91.1 | Very high | 44 Ų | 44 | 76 Ų | 76 | 23% | 0.23 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 147.1 | -175 | -58.2 | 170.6 | 0 | 0 | 0 | 110.7 | R142 V143 I145 E153 Y164 | R142-L155 WeakPolarHBondContact CA-O 3.49Å; V143-L155 HydrophobicContact CG2-CB 3.79Å; V143-L155 HydrophobicContact CG2-CD1 4.48Å; V143-L155 PolarHBondContact N-O 2.85Å; V143-L155 PolarHBondContact O-N 3.23Å; I145-L155 HydrophobicContact CG2-CD1 4.44Å; E153-L155 HydrophobicContact CG-CD2 4.12Å; E153-L155 HydrophobicContact CG-CG 4.25Å; L155-Y164 HydrophobicContact CD1-CE1 4.49Å; L155-Y164 HydrophobicContact CD1-CE2 3.73Å; L155-Y164 WeakPolarHBondContact CD1-OH 2.96Å |
| 156 | K | 92.4 | Very high | 91 | Very high | 174 Ų | 174 | 78.2 Ų | 78.2 | 76% | 0.757 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 135.9 | 171.5 | -63.6 | -176.6 | -178.5 | -178 | 0 | 109.1 | ||
| 157 | V | 92 | Very high | 90.8 | Very high | 22 Ų | 22 | 78.6 Ų | 78.6 | 13% | 0.133 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -91 | 155.4 | 169.6 | -169.7 | 0 | 0 | 0 | 0 | 108.5 | W130 S141 V143 H163 | W130-V157 HydrophobicContact CH2-CB 4.49Å; W130-V157 HydrophobicContact CH2-CG1 3.97Å; W130-V157 HydrophobicContact CH2-CG2 3.74Å; W130-V157 HydrophobicContact CZ2-CB 4.46Å; W130-V157 HydrophobicContact CZ2-CG1 4.02Å; W130-V157 HydrophobicContact CZ2-CG2 3.95Å; S141-V157 WeakPolarHBondContact O-CB 3.44Å; S141-V157 WeakPolarHBondContact O-CG2 3.45Å; S141-V157 PolarHBondContact O-N 3.39Å; S141-V157 VanDerWaalsContact O-N 3.1Å; V143-V157 HydrophobicContact CG1-CG2 3.71Å; V157-H163 WeakPolarHBondContact CG1-O 3.38Å |
| 158 | S | 84.7 | Confident | 90.5 | Very high | 79 Ų | 79 | 81.1 Ų | 81.1 | 55% | 0.552 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 145.8 | 164.7 | 51.8 | 0 | 0 | 0 | 0 | 110.6 | G160 G161 | S158-G160 PolarHBondContact O-N 3.19Å; S158-G161 WeakPolarHBondContact O-CA 3.25Å; S158-G161 PolarHBondContact O-N 3.25Å |
| 159 | R | 79.6 | Confident | 90.4 | Very high | 109 Ų | 109 | 78.9 Ų | 78.9 | 41% | 0.411 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 133.2 | -179.7 | 177.4 | -174.8 | 167.3 | 147.5 | 16.2 | 111.1 | G161 D184 N186 | R159-G161 PolarHBondContact O-N 2.98Å; R159-G161 VanDerWaalsContact O-N 3.13Å; R159-D184 IonicContact CZ-OD1 3.11Å; R159-D184 IonicContact CZ-OD2 2.72Å; R159-D184 IonicContact NE-OD1 3.15Å; R159-D184 IonicContact NE-OD2 2.75Å; R159-D184 IonicContact NH1-OD1 3.84Å; R159-D184 IonicContact NH1-OD2 3.73Å; R159-D184 PolarHBondContact NH1-OD2 3.45Å; R159-D184 IonicContact NH2-OD2 2.66Å; R159-D184 PolarHBondContact NH2-OD2 3.4Å; R159-N186 VanDerWaalsContact CZ-OD1 3.31Å; R159-N186 PolarHBondContact NH1-OD1 3.05Å; R159-N186 PolarHBondContact NH2-OD1 3.42Å |
| 160 | G | 79.7 | Confident | 90.4 | Very high | 30 Ų | 30 | 74 Ų | 74 | 31% | 0.309 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | -2.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | V139 S158 K162 | V139-G160 PolarHBondContact O-N 3.45Å; V139-G160 VanDerWaalsContact O-N 3.1Å; S158-G160 PolarHBondContact O-N 3.19Å; G160-K162 PolarHBondContact O-N 2.88Å |
| 161 | G | 85.1 | Confident | 90 | Very high | 8 Ų | 8 | 73.8 Ų | 73.8 | 8% | 0.082 | 40% | 0.396 | C | S | . | . | trans | -63.4 | 127.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | W130 S158 R159 | W130-G161 VanDerWaalsContact CZ2-O 3.31Å; W130-G161 WeakPolarHBondContact CZ2-O 3.06Å; S158-G161 WeakPolarHBondContact O-CA 3.25Å; S158-G161 PolarHBondContact O-N 3.25Å; R159-G161 PolarHBondContact O-N 2.98Å; R159-G161 VanDerWaalsContact O-N 3.13Å | ||
| 162 | K | 91.2 | Very high | 89.6 | Confident | 75 Ų | 75 | 71.3 Ų | 71.3 | 33% | 0.326 | 39% | 0.386 | S | S | . | . | trans | -109 | 17.4 | 177.7 | -67.6 | -179.5 | -175.2 | 177.5 | 0 | 112 | Y129 W130 N135 G160 | Y129-K162 WeakPolarHBondContact CA-O 3.41Å; W130-K162 PolarHBondContact N-O 2.86Å; W130-K162 WeakPolarHBondContact O-CB 3.42Å; N135-K162 PolarHBondContact OD1-NZ 2.02Å; G160-K162 PolarHBondContact O-N 2.88Å | ||
| 163 | H | 93.1 | Very high | 89.3 | Confident | 83 Ų | 83 | 67.4 Ų | 67.4 | 38% | 0.384 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 157.6 | -177.5 | 62.3 | -107.4 | 0 | 0 | 0 | 112.1 | W127 F128 Y129 W130 V157 | W127-H163 AromaticContact CZ3-CD2 3.72Å; F128-H163 CarbonylContact O-C 3.57Å; F128-H163 WeakPolarHBondContact O-CA 3.43Å; F128-H163 WeakPolarHBondContact O-CB 3.41Å; Y129-H163 HydrophobicContact CD1-CB 3.59Å; Y129-H163 HydrophobicContact CE1-CB 3.8Å; Y129-H163 HydrophobicContact CG-CB 4.41Å; W130-H163 VanDerWaalsContact CH2-O 3.28Å; W130-H163 WeakPolarHBondContact CH2-O 3.48Å; W130-H163 VanDerWaalsContact CZ3-CA 3.47Å; V157-H163 WeakPolarHBondContact CG1-O 3.38Å |
| 164 | Y | 94.5 | Very high | 89.1 | Confident | 42 Ų | 42 | 66.5 Ų | 66.5 | 17% | 0.165 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 136.5 | 172.9 | 170.2 | -105.9 | 0 | 0 | 0 | 109.2 | F128 V143 I145 L155 H166 L177 | F128-Y164 AromaticContact CD2-CD1 3.91Å; F128-Y164 HydrophobicContact CD2-CD1 3.91Å; F128-Y164 HydrophobicContact CE2-CD1 4.47Å; F128-Y164 PolarHBondContact N-O 2.72Å; F128-Y164 PolarHBondContact O-N 2.92Å; V143-Y164 HydrophobicContact CG1-CG 4.39Å; V143-Y164 HydrophobicContact CG2-CD1 4.22Å; V143-Y164 HydrophobicContact CG2-CD2 4.08Å; V143-Y164 HydrophobicContact CG2-CE1 4.5Å; V143-Y164 HydrophobicContact CG2-CE2 4.39Å; V143-Y164 HydrophobicContact CG2-CG 4.01Å; I145-Y164 HydrophobicContact CD1-CE1 4.26Å; L155-Y164 HydrophobicContact CD1-CE1 4.49Å; L155-Y164 HydrophobicContact CD1-CE2 3.73Å; L155-Y164 WeakPolarHBondContact CD1-OH 2.96Å; Y164-H166 HydrophobicContact CE1-CB 3.93Å; Y164-L177 HydrophobicContact CD1-CD1 3.54Å; Y164-L177 HydrophobicContact CE1-CD1 4.08Å; Y164-L177 HydrophobicContact CG-CD1 4.45Å |
| 165 | C | 93.1 | Very high | 88.9 | Confident | 34 Ų | 34 | 63 Ų | 63 | 23% | 0.23 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 122.4 | 178.5 | -178.6 | 0 | 0 | 0 | 0 | 109.3 | N125 W127 | N125-C165 VanDerWaalsContact CB-SG 3.58Å; W127-C165 HydrophobicContact CD2-CB 3.99Å; W127-C165 HydrophobicContact CE3-CB 3.85Å; W127-C165 HydrophobicContact CH2-CB 3.83Å; W127-C165 HydrophobicContact CZ2-CB 3.97Å; W127-C165 HydrophobicContact CZ3-CB 3.77Å |
| 166 | H | 92.3 | Very high | 88.9 | Confident | 53 Ų | 53 | 61.6 Ų | 61.6 | 25% | 0.245 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 107.1 | 168.7 | -177.5 | 82.6 | 0 | 0 | 0 | 108.6 | L126 F128 I145 Y164 Y175 | L126-H166 HydrophobicContact CB-CB 4.28Å; L126-H166 PolarHBondContact N-O 2.85Å; L126-H166 PolarHBondContact O-N 2.93Å; F128-H166 HydrophobicContact CE2-CB 4.11Å; I145-H166 HydrophobicContact CD1-CB 4.4Å; Y164-H166 HydrophobicContact CE1-CB 3.93Å; H166-Y175 AromaticContact CD2-CE1 3.85Å; H166-Y175 AromaticContact NE2-CE1 3.87Å; H166-Y175 AromaticContact NE2-CZ 3.9Å; H166-Y175 PolarHBondContact NE2-OH 3.48Å |
| 167 | S | 90.7 | Very high | 89.1 | Confident | 72 Ų | 72 | 53.3 Ų | 53.3 | 50% | 0.503 | 30% | 0.298 | S | S | . | . | trans | -72.3 | 145 | -177.1 | -53.7 | 0 | 0 | 0 | 0 | 112.8 | N125 | N125-S167 VanDerWaalsContact OD1-CA 3.23Å; N125-S167 WeakPolarHBondContact OD1-CA 3.47Å | ||
| 168 | L | 85.6 | Confident | 89.4 | Confident | 136 Ų | 136 | 53.4 Ų | 53.4 | 71% | 0.712 | 30% | 0.297 | S | S | * | . | S | Bend | trans | 48.2 | 60.9 | 173.8 | -58.5 | 174.1 | 0 | 0 | 0 | 113.3 | N125 | N125-L168 PolarHBondContact OD1-N 3.4Š|
| 169 | P | 87.9 | Confident | 90 | Very high | 25 Ų | 25 | 49.7 Ų | 49.7 | 16% | 0.162 | 27% | 0.271 | C | S | . | . | trans | -63.4 | 137.5 | 178.8 | 31.8 | -36.4 | 0 | 0 | 0 | 110.8 | L124 L126 S171 Y175 W202 | L124-P169 WeakPolarHBondContact O-CD 2.97Å; L126-P169 HydrophobicContact CB-CB 4.11Å; L126-P169 HydrophobicContact CB-CG 4.07Å; L126-P169 HydrophobicContact CD2-CB 4.39Å; P169-S171 PolarHBondContact O-N 3.26Å; P169-Y175 HydrophobicContact CB-CE2 4.17Å; P169-W202 HydrophobicContact CB-CH2 3.85Å; P169-W202 HydrophobicContact CB-CZ3 3.74Å; P169-W202 HydrophobicContact CG-CH2 4Å; P169-W202 HydrophobicContact CG-CZ3 4.39Å | ||
| 170 | S | 86.6 | Confident | 90.8 | Very high | 39 Ų | 39 | 46.2 Ų | 46.2 | 27% | 0.273 | 26% | 0.259 | S | S | . | . | trans | -76.6 | 120.5 | 177.3 | 178.2 | 0 | 0 | 0 | 0 | 110 | T172 A173 Y175 | S170-T172 PolarHBondContact O-N 3.35Å; S170-T172 VanDerWaalsContact O-N 3.16Å; S170-A173 PolarHBondContact O-N 2.93Å; S170-Y175 PolarHBondContact N-OH 2.79Å | ||
| 171 | S | 83.1 | Confident | 91.5 | Very high | 102 Ų | 102 | 44.8 Ų | 44.8 | 71% | 0.713 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -23.3 | -175.9 | 54.7 | 0 | 0 | 0 | 0 | 114.9 | P169 | P169-S171 PolarHBondContact O-N 3.26Š|
| 172 | T | 85.8 | Confident | 92 | Very high | 102 Ų | 102 | 45.7 Ų | 45.7 | 63% | 0.626 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -1.8 | 178.4 | 54.9 | 0 | 0 | 0 | 0 | 113.6 | S170 | S170-T172 PolarHBondContact O-N 3.35Å; S170-T172 VanDerWaalsContact O-N 3.16Å |
| 173 | A | 89.9 | Confident | 92.2 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | trans | -104 | 143.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112 | K147 N148 S170 Y175 | K147-A173 HydrophobicContact CD-CB 4.18Å; K147-A173 HydrophobicContact CG-CB 3.82Å; N148-A173 WeakPolarHBondContact OD1-CA 3.48Å; S170-A173 PolarHBondContact O-N 2.93Å; A173-Y175 HydrophobicContact CB-CD2 4.33Å; A173-Y175 HydrophobicContact CB-CE2 3.75Å | ||
| 174 | R | 91.8 | Very high | 92.2 | Very high | 88 Ų | 88 | 39.2 Ų | 39.2 | 33% | 0.332 | 22% | 0.217 | S | C | . | . | trans | -88.9 | 126 | 168.1 | 177.7 | 174.4 | 160.1 | 144.2 | -6.2 | 108.6 | K147 N148 E176 V201 W202 N205 | K147-R174 CarbonylContact C-O 3.53Å; K147-R174 WeakPolarHBondContact CA-O 3.22Å; N148-R174 PolarHBondContact N-O 2.92Å; N148-R174 PolarHBondContact OD1-N 2.9Å; R174-E176 IonicContact NH2-OE2 2.78Å; R174-E176 PolarHBondContact NH2-OE2 3.03Å; R174-V201 HydrophobicContact CG-CG1 3.82Å; R174-W202 CarbonylContact C-O 3.58Å; R174-W202 WeakPolarHBondContact CA-O 2.96Å; R174-N205 PolarHBondContact NH1-OD1 2.86Å | ||
| 175 | Y | 93.3 | Very high | 92.1 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 136.9 | 173.3 | -68.9 | -95.8 | 0 | 0 | 0 | 108.9 | L126 I145 R146 K147 H166 P169 S170 A173 V201 W202 | L126-Y175 HydrophobicContact CD2-CG 4.43Å; I145-Y175 HydrophobicContact CD1-CD1 3.94Å; I145-Y175 HydrophobicContact CG1-CD1 4.4Å; R146-Y175 WeakPolarHBondContact O-CA 3.23Å; K147-Y175 HydrophobicContact CB-CD1 4.41Å; K147-Y175 HydrophobicContact CB-CE1 4.21Å; K147-Y175 HydrophobicContact CD-CE1 4.24Å; K147-Y175 HydrophobicContact CG-CD1 4.48Å; K147-Y175 HydrophobicContact CG-CE1 4.02Å; H166-Y175 AromaticContact CD2-CE1 3.85Å; H166-Y175 AromaticContact NE2-CE1 3.87Å; H166-Y175 AromaticContact NE2-CZ 3.9Å; H166-Y175 PolarHBondContact NE2-OH 3.48Å; P169-Y175 HydrophobicContact CB-CE2 4.17Å; S170-Y175 PolarHBondContact N-OH 2.79Å; A173-Y175 HydrophobicContact CB-CD2 4.33Å; A173-Y175 HydrophobicContact CB-CE2 3.75Å; Y175-V201 CarbonylContact O-C 3.42Å; Y175-V201 WeakPolarHBondContact O-CA 2.97Å; Y175-W202 AromaticContact CD2-CE3 3.78Å; Y175-W202 HydrophobicContact CD2-CE3 3.78Å; Y175-W202 AromaticContact CD2-CZ3 3.92Å; Y175-W202 HydrophobicContact CD2-CZ3 3.92Å; Y175-W202 HydrophobicContact CE2-CE3 4.45Å; Y175-W202 HydrophobicContact CE2-CZ3 4.13Å; Y175-W202 PolarHBondContact N-O 3.1Å; Y175-W202 PolarHBondContact O-N 3.35Å |
| 176 | E | 95.1 | Very high | 91.9 | Very high | 15 Ų | 15 | 47.7 Ų | 47.7 | 7% | 0.07 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 127.9 | 174.8 | -173.1 | 177.7 | 124.2 | 0 | 0 | 109 | I145 R146 W152 R174 V200 V201 | I145-E176 CarbonylContact C-O 3.56Å; I145-E176 WeakPolarHBondContact CA-O 3.43Å; R146-E176 HydrophobicContact CG-CB 3.88Å; R146-E176 IonicContact CZ-OE1 3.36Å; R146-E176 IonicContact CZ-OE2 3.42Å; R146-E176 PolarHBondContact N-O 3.44Å; R146-E176 IonicContact NE-OE1 3.01Å; R146-E176 PolarHBondContact NE-OE1 2.82Å; R146-E176 IonicContact NE-OE2 3.69Å; R146-E176 IonicContact NH2-OE1 3.64Å; R146-E176 PolarHBondContact NH2-OE1 2.93Å; R146-E176 IonicContact NH2-OE2 2.74Å; R146-E176 PolarHBondContact NH2-OE2 2.86Å; R146-E176 PolarHBondContact O-N 3.32Å; W152-E176 HydrophobicContact CH2-CB 4.42Å; W152-E176 HydrophobicContact CH2-CG 4.01Å; W152-E176 WeakPolarHBondContact CH2-OE1 3.28Å; W152-E176 WeakPolarHBondContact CZ3-O 3.11Å; R174-E176 IonicContact NH2-OE2 2.78Å; R174-E176 PolarHBondContact NH2-OE2 3.03Å; E176-V200 WeakPolarHBondContact CA-O 3.46Å; E176-V201 HydrophobicContact CB-CG2 4.26Å; E176-V201 HydrophobicContact CG-CG2 3.81Å |
| 177 | L | 96.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 140.5 | -175 | -177.6 | 144.4 | 0 | 0 | 0 | 111.2 | L116 F128 V143 R144 I145 Y164 V179 S199 V200 | L116-L177 HydrophobicContact CD2-CD2 4.13Å; F128-L177 HydrophobicContact CB-CD1 4.22Å; F128-L177 HydrophobicContact CB-CD2 4.27Å; F128-L177 HydrophobicContact CD1-CB 3.94Å; F128-L177 HydrophobicContact CD1-CD1 4.05Å; F128-L177 HydrophobicContact CD1-CD2 4.14Å; F128-L177 HydrophobicContact CD1-CG 4.27Å; F128-L177 HydrophobicContact CD2-CD1 3.79Å; F128-L177 HydrophobicContact CE1-CB 3.74Å; F128-L177 HydrophobicContact CE1-CD1 4.31Å; F128-L177 HydrophobicContact CE1-CG 4.49Å; F128-L177 HydrophobicContact CE2-CD1 4.06Å; F128-L177 HydrophobicContact CG-CD1 3.76Å; F128-L177 HydrophobicContact CG-CD2 4.28Å; F128-L177 HydrophobicContact CG-CG 4.41Å; F128-L177 HydrophobicContact CZ-CB 4.17Å; F128-L177 HydrophobicContact CZ-CD1 4.3Å; V143-L177 HydrophobicContact CB-CD1 4.09Å; V143-L177 HydrophobicContact CB-CG 4.34Å; V143-L177 HydrophobicContact CG1-CD1 4.36Å; V143-L177 HydrophobicContact CG1-CD2 4.43Å; V143-L177 HydrophobicContact CG2-CD1 4.46Å; R144-L177 VanDerWaalsContact O-CA 3.31Å; R144-L177 WeakPolarHBondContact O-CA 3.48Å; I145-L177 HydrophobicContact CB-CD1 4.34Å; I145-L177 HydrophobicContact CD1-CD1 4.28Å; I145-L177 HydrophobicContact CG1-CB 4.39Å; I145-L177 HydrophobicContact CG1-CD1 4.5Å; Y164-L177 HydrophobicContact CD1-CD1 3.54Å; Y164-L177 HydrophobicContact CE1-CD1 4.08Å; Y164-L177 HydrophobicContact CG-CD1 4.45Å; L177-V179 HydrophobicContact CD2-CG2 3.74Å; L177-S199 WeakPolarHBondContact O-CA 3.11Å; L177-V200 HydrophobicContact CB-CG1 4.15Å; L177-V200 HydrophobicContact CD2-CG1 4.25Å; L177-V200 PolarHBondContact N-O 3.18Å; L177-V200 PolarHBondContact O-N 2.88Å |
| 178 | Q | 97.3 | Very high | 91.8 | Very high | 25 Ų | 25 | 43.5 Ų | 43.5 | 12% | 0.117 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 149.6 | 170.3 | -70.5 | 175 | -67 | 0 | 0 | 109.9 | V143 R144 W152 W196 S197 | V143-Q178 CarbonylContact C-O 3.56Å; V143-Q178 WeakPolarHBondContact CA-O 3.43Å; R144-Q178 HydrophobicContact CG-CB 3.98Å; R144-Q178 PolarHBondContact N-O 2.95Å; R144-Q178 PolarHBondContact O-N 2.8Å; W152-Q178 HydrophobicContact CH2-CG 4.41Å; Q178-W196 HydrophobicContact CB-CB 4.4Å; Q178-W196 HydrophobicContact CB-CE3 4.02Å; Q178-S197 WeakPolarHBondContact CG-O 3.46Å; Q178-S197 PolarHBondContact NE2-O 2.78Å |
| 179 | V | 97.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 146.3 | 179.6 | -166.6 | 0 | 0 | 0 | 0 | 108.8 | P113 L116 W130 R142 V143 L177 S197 | P113-V179 HydrophobicContact CB-CB 4.28Å; P113-V179 HydrophobicContact CB-CG1 4.36Å; P113-V179 HydrophobicContact CG-CB 4.12Å; P113-V179 HydrophobicContact CG-CG1 3.88Å; L116-V179 HydrophobicContact CD1-CG2 4.38Å; L116-V179 HydrophobicContact CD2-CB 4.47Å; L116-V179 HydrophobicContact CD2-CG2 3.73Å; L116-V179 HydrophobicContact CG-CG2 4.07Å; W130-V179 HydrophobicContact CB-CG2 4.43Å; W130-V179 HydrophobicContact CD2-CB 4.4Å; W130-V179 HydrophobicContact CD2-CG1 3.96Å; W130-V179 HydrophobicContact CD2-CG2 3.7Å; W130-V179 HydrophobicContact CE3-CG2 3.62Å; W130-V179 HydrophobicContact CG-CG1 4.26Å; W130-V179 HydrophobicContact CG-CG2 4.07Å; W130-V179 HydrophobicContact CZ2-CG1 4.06Å; W130-V179 HydrophobicContact CZ3-CG2 4.1Å; R142-V179 WeakPolarHBondContact O-CA 3.08Å; V143-V179 HydrophobicContact CG1-CG1 4.38Å; V143-V179 HydrophobicContact CG1-CG2 4.1Å; L177-V179 HydrophobicContact CD2-CG2 3.74Å; V179-S197 PolarHBondContact N-OG 2.77Å; V179-S197 WeakPolarHBondContact O-CB 3.42Å; V179-S197 PolarHBondContact O-N 2.74Å; V179-S197 PolarHBondContact O-OG 2.83Å |
| 180 | K | 96.6 | Very high | 92.6 | Very high | 36 Ų | 36 | 40.3 Ų | 40.3 | 16% | 0.157 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 153.4 | 162.4 | 66.8 | 174.5 | -170.3 | 165.5 | 0 | 110.4 | S141 R142 W193 S194 W196 | S141-K180 WeakPolarHBondContact CA-O 3.31Å; R142-K180 HydrophobicContact CB-CG 4.38Å; R142-K180 PolarHBondContact N-O 2.86Å; R142-K180 PolarHBondContact O-N 2.86Å; K180-W193 HydrophobicContact CB-CE3 4.49Å; K180-W193 HydrophobicContact CD-CB 4.03Å; K180-W193 HydrophobicContact CD-CD2 4.24Å; K180-W193 HydrophobicContact CD-CE3 3.96Å; K180-W193 HydrophobicContact CD-CG 4.27Å; K180-W193 HydrophobicContact CG-CD2 4.48Å; K180-W193 HydrophobicContact CG-CE3 3.71Å; K180-W193 HydrophobicContact CG-CZ3 4.33Å; K180-S194 WeakPolarHBondContact CA-OG 3.21Å; K180-S194 WeakPolarHBondContact CB-OG 3.39Å; K180-W196 HydrophobicContact CB-CD2 4.17Å; K180-W196 HydrophobicContact CB-CE3 3.81Å; K180-W196 HydrophobicContact CB-CZ3 4.15Å; K180-W196 HydrophobicContact CD-CD2 3.91Å; K180-W196 HydrophobicContact CD-CE3 4.05Å; K180-W196 HydrophobicContact CD-CH2 3.86Å; K180-W196 HydrophobicContact CD-CZ2 3.69Å; K180-W196 HydrophobicContact CD-CZ3 4.02Å; K180-W196 HydrophobicContact CG-CD2 4.12Å; K180-W196 HydrophobicContact CG-CE3 3.74Å; K180-W196 HydrophobicContact CG-CH2 3.85Å; K180-W196 HydrophobicContact CG-CZ2 4.2Å; K180-W196 HydrophobicContact CG-CZ3 3.6Å |
| 181 | S | 95.4 | Very high | 93 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.007 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 161 | -172.8 | 60.1 | 0 | 0 | 0 | 0 | 112.3 | E140 S194 | E140-S181 VanDerWaalsContact O-CA 3.3Å; E140-S181 WeakPolarHBondContact O-CA 3.39Å; S181-S194 PolarHBondContact N-OG 2.67Å; S181-S194 PolarHBondContact O-N 2.97Å |
| 182 | R | 95.3 | Very high | 93.6 | Very high | 27 Ų | 27 | 42.2 Ų | 42.2 | 10% | 0.102 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 156 | 175.6 | -169.3 | 167.7 | 74.3 | 129.1 | 0.3 | 109.8 | V139 E140 E189 S190 F192 W193 | V139-R182 WeakPolarHBondContact CA-O 3.39Å; E140-R182 HydrophobicContact CG-CB 4.04Å; E140-R182 PolarHBondContact N-O 2.82Å; E140-R182 PolarHBondContact O-N 3.48Å; E140-R182 IonicContact OE1-CZ 3.77Å; E140-R182 IonicContact OE1-NE 2.74Å; E140-R182 PolarHBondContact OE1-NE 3.42Å; E140-R182 IonicContact OE1-NH2 2.8Å; E140-R182 PolarHBondContact OE1-NH2 2.9Å; R182-E189 IonicContact CZ-OE1 3.54Å; R182-E189 IonicContact NH1-OE1 2.69Å; R182-E189 PolarHBondContact NH1-OE1 2.88Å; R182-E189 IonicContact NH2-OE1 3.29Å; R182-E189 PolarHBondContact NH2-OE1 2.97Å; R182-S190 WeakPolarHBondContact CD-O 3.44Å; R182-S190 PolarHBondContact NH1-O 3.07Å; R182-F192 WeakPolarHBondContact CG-O 3.17Å; R182-W193 HydrophobicContact CB-CD2 3.9Å; R182-W193 HydrophobicContact CB-CE3 3.73Å; R182-W193 HydrophobicContact CB-CH2 3.96Å; R182-W193 HydrophobicContact CB-CZ2 4.1Å; R182-W193 HydrophobicContact CB-CZ3 3.78Å; R182-W193 HydrophobicContact CG-CD2 4.49Å; R182-W193 VanDerWaalsContact NE-CZ2 3.34Å |
| 183 | L | 94.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 129.3 | 167.8 | -67.8 | -179.9 | 0 | 0 | 0 | 110.3 | L30 V108 L110 L136 V139 E189 S190 | L30-L183 HydrophobicContact CD1-CD1 4.14Å; L30-L183 HydrophobicContact CD1-CD2 4.35Å; L30-L183 HydrophobicContact CD2-CD1 4.23Å; V108-L183 HydrophobicContact CB-CD1 3.94Å; V108-L183 HydrophobicContact CG1-CD1 3.81Å; V108-L183 HydrophobicContact CG2-CD1 3.98Å; L110-L183 HydrophobicContact CD1-CD2 4.14Å; L110-L183 HydrophobicContact CD1-CG 4.16Å; L110-L183 HydrophobicContact CD2-CD2 4.34Å; L110-L183 HydrophobicContact CD2-CG 4.23Å; L110-L183 HydrophobicContact CG-CG 4.35Å; L136-L183 HydrophobicContact CD1-CD2 3.98Å; V139-L183 HydrophobicContact CG2-CD2 4.31Å; L183-E189 WeakPolarHBondContact O-CA 3.4Å; L183-S190 PolarHBondContact O-N 3.1Å; L183-S190 VanDerWaalsContact O-N 3.1Å |
| 184 | D | 93.3 | Very high | 94.5 | Very high | 21 Ų | 21 | 39.5 Ų | 39.5 | 11% | 0.112 | 19% | 0.186 | C | C | . | . | trans | -82.1 | 161.9 | 177.8 | 166.7 | 104.1 | 0 | 0 | 0 | 112 | C138 E140 R159 N186 C187 G188 | C138-D184 HydrophobicContact CB-CB 4.49Å; C138-D184 WeakPolarHBondContact O-CB 3.39Å; C138-D184 PolarHBondContact O-N 2.78Å; E140-D184 HydrophobicContact CB-CB 4.44Å; E140-D184 HydrophobicContact CG-CB 4.47Å; R159-D184 IonicContact CZ-OD1 3.11Å; R159-D184 IonicContact CZ-OD2 2.72Å; R159-D184 IonicContact NE-OD1 3.15Å; R159-D184 IonicContact NE-OD2 2.75Å; R159-D184 IonicContact NH1-OD1 3.84Å; R159-D184 IonicContact NH1-OD2 3.73Å; R159-D184 PolarHBondContact NH1-OD2 3.45Å; R159-D184 IonicContact NH2-OD2 2.66Å; R159-D184 PolarHBondContact NH2-OD2 3.4Å; D184-N186 VanDerWaalsContact C-N 3.31Å; D184-N186 PolarHBondContact O-N 3.43Å; D184-N186 VanDerWaalsContact O-N 3.15Å; D184-N186 PolarHBondContact OD2-N 3.13Å; D184-N186 VanDerWaalsContact OD2-N 3.14Å; D184-N186 PolarHBondContact OD2-OD1 2.91Å; D184-C187 PolarHBondContact O-N 2.84Å; D184-G188 CarbonylContact O-C 3.56Å | ||
| 185 | E | 92.1 | Very high | 94.8 | Very high | 140 Ų | 140 | 39.7 Ų | 39.7 | 65% | 0.654 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -47 | -41 | -175.8 | 65.9 | -175.3 | 174.5 | 0 | 0 | 115.3 | C187 G188 | E185-C187 PolarHBondContact O-N 2.88Å; E185-C187 VanDerWaalsContact O-N 3.09Å; E185-G188 PolarHBondContact O-N 3.22Å |
| 186 | N | 89.6 | Confident | 95 | Very high | 114 Ų | 114 | 42.8 Ų | 42.8 | 61% | 0.61 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -67.8 | -15.2 | -177.1 | -58.8 | 44.4 | 0 | 0 | 0 | 113.3 | R159 D184 | R159-N186 VanDerWaalsContact CZ-OD1 3.31Å; R159-N186 PolarHBondContact NH1-OD1 3.05Å; R159-N186 PolarHBondContact NH2-OD1 3.42Å; D184-N186 VanDerWaalsContact C-N 3.31Å; D184-N186 PolarHBondContact O-N 3.43Å; D184-N186 VanDerWaalsContact O-N 3.15Å; D184-N186 PolarHBondContact OD2-N 3.13Å; D184-N186 VanDerWaalsContact OD2-N 3.14Å; D184-N186 PolarHBondContact OD2-OD1 2.91Å |
| 187 | C | 90.4 | Very high | 95.1 | Very high | 30 Ų | 30 | 42.2 Ų | 42.2 | 20% | 0.203 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -106.3 | 14.8 | 174 | -79.8 | 0 | 0 | 0 | 0 | 112.5 | R83 C138 D184 E185 | R83-C187 PolarHBondContact NH1-O 2.77Å; R83-C187 PolarHBondContact NH2-O 2.74Å; C138-C187 HydrophobicContact CB-CB 3.6Å; C138-C187 WeakPolarHBondContact CB-SG 3.37Å; C138-C187 WeakPolarHBondContact SG-CB 3.49Å; C138-C187 CovalentContact SG-SG 2.01Å; C138-C187 PolarHBondContact SG-SG 2.58Å; D184-C187 PolarHBondContact O-N 2.84Å; E185-C187 PolarHBondContact O-N 2.88Å; E185-C187 VanDerWaalsContact O-N 3.09Å |
| 188 | G | 91.1 | Very high | 95 | Very high | 8 Ų | 8 | 50.9 Ų | 50.9 | 8% | 0.082 | 24% | 0.244 | C | C | . | . | trans | 73.7 | 109.5 | -159.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | R83 D184 E185 S190 | R83-G188 PolarHBondContact NH2-O 3.01Å; D184-G188 CarbonylContact O-C 3.56Å; E185-G188 PolarHBondContact O-N 3.22Å; G188-S190 PolarHBondContact O-N 3.29Å | ||
| 189 | E | 93.7 | Very high | 94.9 | Very high | 93 Ų | 93 | 52.3 Ų | 52.3 | 44% | 0.435 | 26% | 0.257 | S | S | . | . | trans | -56.9 | 134.6 | 174.5 | -169.1 | -170.7 | -174 | 0 | 0 | 109.4 | T106 R182 L183 | T106-E189 WeakPolarHBondContact CA-O 3.49Å; R182-E189 IonicContact CZ-OE1 3.54Å; R182-E189 IonicContact NH1-OE1 2.69Å; R182-E189 PolarHBondContact NH1-OE1 2.88Å; R182-E189 IonicContact NH2-OE1 3.29Å; R182-E189 PolarHBondContact NH2-OE1 2.97Å; L183-E189 WeakPolarHBondContact O-CA 3.4Å | ||
| 190 | S | 95.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.007 | 26% | 0.262 | C | S | . | . | trans | -88.7 | 146.1 | 169.5 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | T106 V108 R182 L183 G188 F192 | T106-S190 WeakPolarHBondContact O-CA 3.48Å; T106-S190 PolarHBondContact O-OG 3Å; V108-S190 PolarHBondContact N-OG 3.44Å; V108-S190 WeakPolarHBondContact O-CB 3.28Å; V108-S190 PolarHBondContact O-OG 3.44Å; R182-S190 WeakPolarHBondContact CD-O 3.44Å; R182-S190 PolarHBondContact NH1-O 3.07Å; L183-S190 PolarHBondContact O-N 3.1Å; L183-S190 VanDerWaalsContact O-N 3.1Å; G188-S190 PolarHBondContact O-N 3.29Å; S190-F192 VanDerWaalsContact C-N 3.25Å; S190-F192 PolarHBondContact OG-N 3.1Å; S190-F192 VanDerWaalsContact OG-N 3.07Å | ||
| 191 | E | 96 | Very high | 94.6 | Very high | 101 Ų | 101 | 54.1 Ų | 54.1 | 47% | 0.472 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -68.5 | -28.6 | 167 | -72.2 | 159.8 | -138.5 | 0 | 0 | 111.7 | T106 K107 | T106-E191 VanDerWaalsContact CB-OE1 3.29Å; T106-E191 WeakPolarHBondContact CB-OE1 3.41Å; T106-E191 PolarHBondContact O-N 2.96Å; T106-E191 PolarHBondContact OG1-OE1 2.66Å; K107-E191 IonicContact NZ-OE1 3.25Å; K107-E191 PolarHBondContact NZ-OE1 2.75Å; K107-E191 IonicContact NZ-OE2 2.66Å; K107-E191 PolarHBondContact NZ-OE2 3.15Å |
| 192 | F | 96.1 | Very high | 94.4 | Very high | 79 Ų | 79 | 56.8 Ų | 56.8 | 35% | 0.346 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -98.8 | 121.9 | -169.5 | -57.4 | -78.5 | 0 | 0 | 0 | 112.3 | L26 K107 K109 R182 S190 | L26-F192 HydrophobicContact CD1-CD2 3.53Å; L26-F192 HydrophobicContact CD1-CE2 3.5Å; L26-F192 VanDerWaalsContact CD1-CE2 3.5Å; L26-F192 HydrophobicContact CD1-CG 4.22Å; L26-F192 HydrophobicContact CD1-CZ 4.17Å; K107-F192 HydrophobicContact CB-CE2 4.48Å; K107-F192 HydrophobicContact CD-CE2 3.87Å; K109-F192 HydrophobicContact CB-CB 4.16Å; K109-F192 HydrophobicContact CG-CB 4.35Å; R182-F192 WeakPolarHBondContact CG-O 3.17Å; S190-F192 VanDerWaalsContact C-N 3.25Å; S190-F192 PolarHBondContact OG-N 3.1Å; S190-F192 VanDerWaalsContact OG-N 3.07Å |
| 193 | W | 96.9 | Very high | 94 | Very high | 41 Ų | 41 | 57.1 Ų | 57.1 | 16% | 0.155 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 150.8 | 160.3 | -72 | 82.8 | 0 | 0 | 0 | 110.5 | E140 R142 K180 R182 | E140-W193 HydrophobicContact CG-CH2 3.82Å; E140-W193 HydrophobicContact CG-CZ3 4.45Å; E140-W193 WeakPolarHBondContact OE1-CH2 3.41Å; E140-W193 WeakPolarHBondContact OE1-CZ2 3.27Å; E140-W193 WeakPolarHBondContact OE2-CH2 3.36Å; R142-W193 HydrophobicContact CB-CH2 4.39Å; R142-W193 HydrophobicContact CB-CZ3 4.14Å; R142-W193 HydrophobicContact CG-CH2 3.58Å; R142-W193 HydrophobicContact CG-CZ2 4.26Å; R142-W193 HydrophobicContact CG-CZ3 3.83Å; R142-W193 VanDerWaalsContact CZ-CZ2 3.41Å; R142-W193 VanDerWaalsContact NE-CH2 3.32Å; K180-W193 HydrophobicContact CB-CE3 4.49Å; K180-W193 HydrophobicContact CD-CB 4.03Å; K180-W193 HydrophobicContact CD-CD2 4.24Å; K180-W193 HydrophobicContact CD-CE3 3.96Å; K180-W193 HydrophobicContact CD-CG 4.27Å; K180-W193 HydrophobicContact CG-CD2 4.48Å; K180-W193 HydrophobicContact CG-CE3 3.71Å; K180-W193 HydrophobicContact CG-CZ3 4.33Å; R182-W193 HydrophobicContact CB-CD2 3.9Å; R182-W193 HydrophobicContact CB-CE3 3.73Å; R182-W193 HydrophobicContact CB-CH2 3.96Å; R182-W193 HydrophobicContact CB-CZ2 4.1Å; R182-W193 HydrophobicContact CB-CZ3 3.78Å; R182-W193 HydrophobicContact CG-CD2 4.49Å; R182-W193 VanDerWaalsContact NE-CZ2 3.34Å |
| 194 | S | 97.1 | Very high | 93 | Very high | 5 Ų | 5 | 63.7 Ų | 63.7 | 4% | 0.035 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 162.3 | 160.6 | 78.3 | 0 | 0 | 0 | 0 | 110.4 | L110 K180 S181 | L110-S194 WeakPolarHBondContact O-CA 3.43Å; L110-S194 WeakPolarHBondContact O-CB 3.21Å; K180-S194 WeakPolarHBondContact CA-OG 3.21Å; K180-S194 WeakPolarHBondContact CB-OG 3.39Å; S181-S194 PolarHBondContact N-OG 2.67Å; S181-S194 PolarHBondContact O-N 2.97Å |
| 195 | D | 97.4 | Very high | 91.4 | Very high | 93 Ų | 93 | 66.8 Ų | 66.8 | 50% | 0.497 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 165.4 | 161.3 | -56.3 | -51.5 | 0 | 0 | 0 | 109.7 | K109 P112 | K109-D195 WeakPolarHBondContact CE-OD2 3.28Å; K109-D195 IonicContact NZ-OD1 2.69Å; K109-D195 PolarHBondContact NZ-OD1 2.74Å; K109-D195 IonicContact NZ-OD2 3.43Å; K109-D195 PolarHBondContact NZ-OD2 2.66Å; P112-D195 WeakPolarHBondContact CB-O 3.39Å |
| 196 | W | 97.5 | Very high | 89.4 | Confident | 69 Ų | 69 | 64.8 Ų | 64.8 | 26% | 0.261 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 140.1 | 173.5 | -67.3 | 101.4 | 0 | 0 | 0 | 109.9 | R144 T154 Q178 K180 | R144-W196 HydrophobicContact CB-CH2 3.68Å; R144-W196 HydrophobicContact CB-CZ2 4.3Å; R144-W196 HydrophobicContact CB-CZ3 3.85Å; R144-W196 HydrophobicContact CG-CD2 4.2Å; R144-W196 HydrophobicContact CG-CE3 3.79Å; R144-W196 HydrophobicContact CG-CH2 3.71Å; R144-W196 HydrophobicContact CG-CZ2 4.13Å; R144-W196 HydrophobicContact CG-CZ3 3.53Å; T154-W196 HydrophobicContact CG2-CH2 4.34Å; Q178-W196 HydrophobicContact CB-CB 4.4Å; Q178-W196 HydrophobicContact CB-CE3 4.02Å; K180-W196 HydrophobicContact CB-CD2 4.17Å; K180-W196 HydrophobicContact CB-CE3 3.81Å; K180-W196 HydrophobicContact CB-CZ3 4.15Å; K180-W196 HydrophobicContact CD-CD2 3.91Å; K180-W196 HydrophobicContact CD-CE3 4.05Å; K180-W196 HydrophobicContact CD-CH2 3.86Å; K180-W196 HydrophobicContact CD-CZ2 3.69Å; K180-W196 HydrophobicContact CD-CZ3 4.02Å; K180-W196 HydrophobicContact CG-CD2 4.12Å; K180-W196 HydrophobicContact CG-CE3 3.74Å; K180-W196 HydrophobicContact CG-CH2 3.85Å; K180-W196 HydrophobicContact CG-CZ2 4.2Å; K180-W196 HydrophobicContact CG-CZ3 3.6Å |
| 197 | S | 97.2 | Very high | 87.3 | Confident | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 166.3 | 171 | 69.8 | 0 | 0 | 0 | 0 | 112.2 | P113 L116 Q178 V179 | P113-S197 VanDerWaalsContact O-CB 3.25Å; P113-S197 WeakPolarHBondContact O-CB 3.4Å; L116-S197 WeakPolarHBondContact CD2-OG 3.32Å; Q178-S197 WeakPolarHBondContact CG-O 3.46Å; Q178-S197 PolarHBondContact NE2-O 2.78Å; V179-S197 PolarHBondContact N-OG 2.77Å; V179-S197 WeakPolarHBondContact O-CB 3.42Å; V179-S197 PolarHBondContact O-N 2.74Å; V179-S197 PolarHBondContact O-OG 2.83Å |
| 198 | E | 95.6 | Very high | 84.9 | Confident | 181 Ų | 181 | 70 Ų | 70 | 85% | 0.846 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 149.5 | 158.8 | -61.5 | -171.1 | 144.8 | 0 | 0 | 110.1 | L116 | L116-E198 WeakPolarHBondContact CD2-O 3.46Š|
| 199 | S | 94.1 | Very high | 82.7 | Confident | 55 Ų | 55 | 74.9 Ų | 74.9 | 39% | 0.385 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -87.8 | 133 | -175.7 | 58.9 | 0 | 0 | 0 | 0 | 111.8 | L177 | L177-S199 WeakPolarHBondContact O-CA 3.11Š|
| 200 | V | 94.8 | Very high | 80.2 | Confident | 20 Ų | 20 | 75.1 Ų | 75.1 | 12% | 0.121 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 132 | 167.5 | 63 | 0 | 0 | 0 | 0 | 109.5 | L116 V118 F128 E176 L177 | L116-V200 HydrophobicContact CB-CB 4.05Å; L116-V200 HydrophobicContact CB-CG1 4.05Å; L116-V200 HydrophobicContact CD2-CG1 4.05Å; V118-V200 HydrophobicContact CB-CG2 3.89Å; V118-V200 HydrophobicContact CG1-CG2 3.66Å; F128-V200 HydrophobicContact CD1-CG1 3.63Å; F128-V200 HydrophobicContact CE1-CG1 3.93Å; E176-V200 WeakPolarHBondContact CA-O 3.46Å; L177-V200 HydrophobicContact CB-CG1 4.15Å; L177-V200 HydrophobicContact CD2-CG1 4.25Å; L177-V200 PolarHBondContact N-O 3.18Å; L177-V200 PolarHBondContact O-N 2.88Å |
| 201 | V | 93.1 | Very high | 77.8 | Confident | 54 Ų | 54 | 81.9 Ų | 81.9 | 33% | 0.327 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 139.1 | -176.9 | 178.2 | 0 | 0 | 0 | 0 | 109.7 | R174 Y175 E176 | R174-V201 HydrophobicContact CG-CG1 3.82Å; Y175-V201 CarbonylContact O-C 3.42Å; Y175-V201 WeakPolarHBondContact O-CA 2.97Å; E176-V201 HydrophobicContact CB-CG2 4.26Å; E176-V201 HydrophobicContact CG-CG2 3.81Å |
| 202 | W | 92.1 | Very high | 75.3 | Confident | 58 Ų | 58 | 81.2 Ų | 81.2 | 22% | 0.22 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 151.3 | 172.1 | -178.4 | 91 | 0 | 0 | 0 | 110.6 | V118 N120 L126 P169 R174 Y175 | V118-W202 HydrophobicContact CG1-CB 4.11Å; V118-W202 HydrophobicContact CG2-CB 3.97Å; V118-W202 HydrophobicContact CG2-CG 4.13Å; N120-W202 HydrophobicContact CB-CZ2 4.47Å; L126-W202 HydrophobicContact CD1-CB 4.43Å; L126-W202 HydrophobicContact CD1-CD2 3.55Å; L126-W202 HydrophobicContact CD1-CE3 4.2Å; L126-W202 HydrophobicContact CD1-CG 3.66Å; L126-W202 HydrophobicContact CD1-CZ2 4.11Å; L126-W202 HydrophobicContact CD2-CB 4.11Å; L126-W202 HydrophobicContact CD2-CD2 3.68Å; L126-W202 HydrophobicContact CD2-CE3 3.57Å; L126-W202 HydrophobicContact CD2-CG 3.95Å; L126-W202 HydrophobicContact CD2-CZ3 4.22Å; L126-W202 HydrophobicContact CG-CD2 4.28Å; L126-W202 HydrophobicContact CG-CG 4.44Å; P169-W202 HydrophobicContact CB-CH2 3.85Å; P169-W202 HydrophobicContact CB-CZ3 3.74Å; P169-W202 HydrophobicContact CG-CH2 4Å; P169-W202 HydrophobicContact CG-CZ3 4.39Å; R174-W202 CarbonylContact C-O 3.58Å; R174-W202 WeakPolarHBondContact CA-O 2.96Å; Y175-W202 AromaticContact CD2-CE3 3.78Å; Y175-W202 HydrophobicContact CD2-CE3 3.78Å; Y175-W202 AromaticContact CD2-CZ3 3.92Å; Y175-W202 HydrophobicContact CD2-CZ3 3.92Å; Y175-W202 HydrophobicContact CE2-CE3 4.45Å; Y175-W202 HydrophobicContact CE2-CZ3 4.13Å; Y175-W202 PolarHBondContact N-O 3.1Å; Y175-W202 PolarHBondContact O-N 3.35Å |
| 203 | G | 86.4 | Confident | 72.9 | Confident | 33 Ų | 33 | 84 Ų | 84 | 34% | 0.34 | 47% | 0.466 | S | S | . | . | S | Bend | trans | 97.4 | 179 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 204 | F | 73.8 | Confident | 70.7 | Confident | 139 Ų | 139 | 90.1 Ų | 90.1 | 61% | 0.61 | 50% | 0.502 | S | S | * | . | trans | -82.8 | 137.5 | -164.7 | -164.7 | -95.9 | 0 | 0 | 0 | 113.5 | N206 | F204-N206 WeakPolarHBondContact CD1-OD1 3.35Å; F204-N206 PolarHBondContact O-N 3.01Å | ||
| 205 | N | 58.9 | Low | 68.2 | Low | 85 Ų | 85 | 95.8 Ų | 95.8 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | trans | -82.6 | 94.2 | 174.2 | -80.1 | -22.7 | 0 | 0 | 0 | 110.7 | R174 T207 | R174-N205 PolarHBondContact NH1-OD1 2.86Å; N205-T207 HydrophobicContact CB-CG2 4.25Å; N205-T207 PolarHBondContact O-N 3.47Å | ||
| 206 | N | 49.7 | Very low | 66.5 | Low | 99 Ų | 99 | 95.7 Ų | 95.7 | 53% | 0.529 | 54% | 0.54 | S | S | . | . | trans | -74.3 | 57.5 | 164.7 | -79.4 | -15.5 | 0 | 0 | 0 | 111.5 | F204 T208 V209 | F204-N206 WeakPolarHBondContact CD1-OD1 3.35Å; F204-N206 PolarHBondContact O-N 3.01Å; N206-T208 PolarHBondContact O-N 2.97Å; N206-V209 PolarHBondContact O-N 2.98Å | ||
| 207 | T | 45.7 | Very low | 64.7 | Low | 125 Ų | 125 | 99.2 Ų | 99.2 | 77% | 0.767 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 11.3 | 176.1 | 41.5 | 0 | 0 | 0 | 0 | 114 | N205 | N205-T207 HydrophobicContact CB-CG2 4.25Å; N205-T207 PolarHBondContact O-N 3.47Å |
| 208 | T | 41.1 | Very low | 63.2 | Low | 129 Ų | 129 | 102.4 Ų | 102.4 | 79% | 0.791 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | -5.4 | 175.6 | 46.1 | 0 | 0 | 0 | 0 | 114.2 | N206 S210 | N206-T208 PolarHBondContact O-N 2.97Å; T208-S210 PolarHBondContact O-N 3.3Å |
| 209 | V | 44.4 | Very low | 61.8 | Low | 109 Ų | 109 | 99 Ų | 99 | 66% | 0.661 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -97.3 | 82.6 | 160.1 | -173.1 | 0 | 0 | 0 | 0 | 107.4 | N206 N211 | N206-V209 PolarHBondContact O-N 2.98Å; V209-N211 PolarHBondContact O-N 3.5Å |
| 210 | S | 40 | Very low | 60.7 | Low | 99 Ų | 99 | 105.7 Ų | 105.7 | 69% | 0.692 | 59% | 0.59 | S | S | * | * | trans | -43.1 | 136.8 | 162.3 | 52.4 | 0 | 0 | 0 | 0 | 109.6 | T208 A212 | T208-S210 PolarHBondContact O-N 3.3Å; S210-A212 VanDerWaalsContact C-N 3.27Å; S210-A212 PolarHBondContact O-N 3.47Å | ||
| 211 | N | 45.8 | Very low | 59.8 | Low | 143 Ų | 143 | 106.8 Ų | 106.8 | 77% | 0.765 | 60% | 0.597 | S | S | * | * | trans | -41.6 | 79.9 | 179.5 | -69.2 | -84.4 | 0 | 0 | 0 | 114.8 | V209 K213 | V209-N211 PolarHBondContact O-N 3.5Å; N211-K213 HydrophobicContact CB-CB 4.4Å; N211-K213 PolarHBondContact O-N 3.26Å | ||
| 212 | A | 44.3 | Very low | 59 | Low | 86 Ų | 86 | 107 Ų | 107 | 71% | 0.711 | 60% | 0.604 | S | S | * | * | trans | -76.8 | 52.7 | 151.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | S210 N214 | S210-A212 VanDerWaalsContact C-N 3.27Å; S210-A212 PolarHBondContact O-N 3.47Å; A212-N214 PolarHBondContact O-N 3.47Å | ||
| 213 | K | 45.6 | Very low | 58.5 | Low | 137 Ų | 137 | 108.4 Ų | 108.4 | 60% | 0.596 | 62% | 0.615 | S | S | * | * | trans | -56.7 | 127.4 | 166.3 | -167.6 | 177.8 | 172.7 | -151.6 | 0 | 104.4 | N211 E215 | N211-K213 HydrophobicContact CB-CB 4.4Å; N211-K213 PolarHBondContact O-N 3.26Å; K213-E215 HydrophobicContact CB-CG 4.07Å; K213-E215 HydrophobicContact CD-CG 3.97Å; K213-E215 WeakPolarHBondContact CD-OE1 3.4Å; K213-E215 HydrophobicContact CG-CG 4.01Å; K213-E215 IonicContact NZ-OE1 3.38Å; K213-E215 PolarHBondContact NZ-OE1 2.94Å; K213-E215 PolarHBondContact O-N 3.34Å | ||
| 214 | N | 49.6 | Very low | 58.6 | Low | 170 Ų | 170 | 112.6 Ų | 112.6 | 91% | 0.909 | 63% | 0.63 | S | S | * | * | trans | -68.9 | 69.3 | 167.2 | -72 | -48.5 | 0 | 0 | 0 | 107.8 | A212 A216 | A212-N214 PolarHBondContact O-N 3.47Å; N214-A216 PolarHBondContact O-N 3.43Å; N214-A216 VanDerWaalsContact O-N 3.12Å | ||
| 215 | E | 45.8 | Very low | 59.2 | Low | 124 Ų | 124 | 114.3 Ų | 114.3 | 58% | 0.579 | 63% | 0.633 | S | S | * | * | trans | -63.2 | 111.2 | 161 | -56.4 | -137.7 | 139.4 | 0 | 0 | 104.7 | K213 M217 | K213-E215 HydrophobicContact CB-CG 4.07Å; K213-E215 HydrophobicContact CD-CG 3.97Å; K213-E215 WeakPolarHBondContact CD-OE1 3.4Å; K213-E215 HydrophobicContact CG-CG 4.01Å; K213-E215 IonicContact NZ-OE1 3.38Å; K213-E215 PolarHBondContact NZ-OE1 2.94Å; K213-E215 PolarHBondContact O-N 3.34Å; E215-M217 PolarHBondContact O-N 2.98Å | ||
| 216 | A | 60.6 | Low | 60.6 | Low | 92 Ų | 92 | 114.3 Ų | 114.3 | 76% | 0.76 | 64% | 0.636 | S | S | * | * | trans | -50.2 | 117.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | N214 | N214-A216 PolarHBondContact O-N 3.43Å; N214-A216 VanDerWaalsContact O-N 3.12Å | ||
| 217 | M | 59.4 | Low | 62.6 | Low | 142 Ų | 142 | 113.5 Ų | 113.5 | 70% | 0.7 | 63% | 0.634 | S | S | * | * | trans | -38.2 | 116.1 | -173.9 | -85.3 | -91.5 | -168.2 | 0 | 0 | 109.3 | E215 V219 T221 | E215-M217 PolarHBondContact O-N 2.98Å; M217-V219 PolarHBondContact O-N 2.89Å; M217-V219 VanDerWaalsContact O-N 3.15Å; M217-T221 HydrophobicContact SD-CG2 3.99Å | ||
| 218 | P | 66.2 | Low | 64.8 | Low | 71 Ų | 71 | 110.8 Ų | 110.8 | 46% | 0.461 | 62% | 0.62 | S | S | . | * | trans | -56.6 | 129.9 | -177.8 | 19.1 | -28.9 | 0 | 0 | 0 | 107.6 | W220 T221 | P218-W220 PolarHBondContact O-N 2.87Å; P218-T221 WeakPolarHBondContact O-CB 3.39Å; P218-T221 PolarHBondContact O-N 3.07Å; P218-T221 PolarHBondContact O-OG1 2.77Å | ||
| 219 | V | 66 | Low | 67.3 | Low | 108 Ų | 108 | 107.5 Ų | 107.5 | 66% | 0.655 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -52.1 | -29.2 | -167.8 | 178.6 | 0 | 0 | 0 | 0 | 112.4 | M217 T221 A222 L223 | M217-V219 PolarHBondContact O-N 2.89Å; M217-V219 VanDerWaalsContact O-N 3.15Å; V219-T221 VanDerWaalsContact C-N 3.35Å; V219-T221 PolarHBondContact O-N 2.96Å; V219-A222 PolarHBondContact O-N 2.05Å; V219-L223 HydrophobicContact CG1-CD1 4.32Å; V219-L223 PolarHBondContact O-N 2.71Å; V219-L223 VanDerWaalsContact O-N 3.14Å |
| 220 | W | 70.6 | Confident | 69.6 | Low | 196 Ų | 196 | 106.9 Ų | 106.9 | 74% | 0.742 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -54.2 | -38.2 | 170.9 | -59.3 | 104.3 | 0 | 0 | 0 | 115 | P218 L223 L224 | P218-W220 PolarHBondContact O-N 2.87Å; W220-L223 HydrophobicContact CE3-CD1 4.2Å; W220-L223 WeakPolarHBondContact O-CB 3.26Å; W220-L223 PolarHBondContact O-N 2.01Å; W220-L224 WeakPolarHBondContact O-CG 3.33Å; W220-L224 PolarHBondContact O-N 3.02Å |
| 221 | T | 76.8 | Confident | 72.1 | Confident | 44 Ų | 44 | 105.8 Ų | 105.8 | 27% | 0.27 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.8 | -43.3 | 177.7 | -55.1 | 0 | 0 | 0 | 0 | 111.1 | M217 P218 V219 L224 Y225 | M217-T221 HydrophobicContact SD-CG2 3.99Å; P218-T221 WeakPolarHBondContact O-CB 3.39Å; P218-T221 PolarHBondContact O-N 3.07Å; P218-T221 PolarHBondContact O-OG1 2.77Å; V219-T221 VanDerWaalsContact C-N 3.35Å; V219-T221 PolarHBondContact O-N 2.96Å; T221-L224 PolarHBondContact O-N 2.67Å; T221-Y225 HydrophobicContact CG2-CD2 4.08Å; T221-Y225 HydrophobicContact CG2-CE2 3.94Å; T221-Y225 VanDerWaalsContact O-CD2 3.3Å; T221-Y225 WeakPolarHBondContact O-CD2 3.42Å; T221-Y225 PolarHBondContact O-N 2.91Å; T221-Y225 VanDerWaalsContact O-N 3.08Å |
| 222 | A | 76.6 | Confident | 74.3 | Confident | 57 Ų | 57 | 104.4 Ų | 104.4 | 47% | 0.471 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.4 | -41 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V219 L224 Y225 V226 | V219-A222 PolarHBondContact O-N 2.05Å; A222-L224 PolarHBondContact O-N 2.89Å; A222-Y225 PolarHBondContact O-N 2.93Å; A222-V226 WeakPolarHBondContact O-CG2 3.45Å; A222-V226 PolarHBondContact O-N 2.73Å |
| 223 | L | 81.4 | Confident | 76.6 | Confident | 88 Ų | 88 | 105.8 Ų | 105.8 | 46% | 0.461 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -58.5 | -44.7 | 172.8 | -82.8 | 159.4 | 0 | 0 | 0 | 112.2 | V219 W220 Y225 V226 V227 | V219-L223 HydrophobicContact CG1-CD1 4.32Å; V219-L223 PolarHBondContact O-N 2.71Å; V219-L223 VanDerWaalsContact O-N 3.14Å; W220-L223 HydrophobicContact CE3-CD1 4.2Å; W220-L223 WeakPolarHBondContact O-CB 3.26Å; W220-L223 PolarHBondContact O-N 2.01Å; L223-Y225 PolarHBondContact O-N 3.41Å; L223-V226 PolarHBondContact O-N 2.93Å; L223-V227 WeakPolarHBondContact O-CG2 3.42Å; L223-V227 PolarHBondContact O-N 2.85Å |
| 224 | L | 87.2 | Confident | 78.7 | Confident | 122 Ų | 122 | 104.1 Ų | 104.1 | 64% | 0.639 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.2 | -40.1 | 177.6 | -72 | 170.9 | 0 | 0 | 0 | 112.4 | W220 T221 A222 V227 S228 | W220-L224 WeakPolarHBondContact O-CG 3.33Å; W220-L224 PolarHBondContact O-N 3.02Å; T221-L224 PolarHBondContact O-N 2.67Å; A222-L224 PolarHBondContact O-N 2.89Å; L224-V227 PolarHBondContact O-N 3.1Å; L224-S228 VanDerWaalsContact O-CB 3.27Å; L224-S228 WeakPolarHBondContact O-CB 3.29Å; L224-S228 PolarHBondContact O-N 2.88Å |
| 225 | Y | 87.8 | Confident | 80.6 | Confident | 175 Ų | 175 | 101.1 Ų | 101.1 | 69% | 0.686 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.3 | -42.4 | 173.7 | -86.7 | -73 | 0 | 0 | 0 | 112.6 | T221 A222 L223 S228 A229 | T221-Y225 HydrophobicContact CG2-CD2 4.08Å; T221-Y225 HydrophobicContact CG2-CE2 3.94Å; T221-Y225 VanDerWaalsContact O-CD2 3.3Å; T221-Y225 WeakPolarHBondContact O-CD2 3.42Å; T221-Y225 PolarHBondContact O-N 2.91Å; T221-Y225 VanDerWaalsContact O-N 3.08Å; A222-Y225 PolarHBondContact O-N 2.93Å; L223-Y225 PolarHBondContact O-N 3.41Å; Y225-S228 PolarHBondContact O-N 3.29Å; Y225-A229 WeakPolarHBondContact O-CB 3.44Å; Y225-A229 PolarHBondContact O-N 3.12Å |
| 226 | V | 88.7 | Confident | 82.8 | Confident | 85 Ų | 85 | 98.6 Ų | 98.6 | 52% | 0.515 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.9 | -45 | 177 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | A222 L223 A229 I230 | A222-V226 WeakPolarHBondContact O-CG2 3.45Å; A222-V226 PolarHBondContact O-N 2.73Å; L223-V226 PolarHBondContact O-N 2.93Å; V226-A229 PolarHBondContact O-N 2.96Å; V226-I230 HydrophobicContact CG1-CD1 3.82Å; V226-I230 VanDerWaalsContact O-CG1 3.32Å; V226-I230 WeakPolarHBondContact O-CG1 3.37Å; V226-I230 PolarHBondContact O-N 3.15Å |
| 227 | V | 91.9 | Very high | 84 | Confident | 81 Ų | 81 | 98 Ų | 98 | 49% | 0.491 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 175.4 | 172 | 0 | 0 | 0 | 0 | 110.8 | L223 L224 A229 I230 T231 | L223-V227 WeakPolarHBondContact O-CG2 3.42Å; L223-V227 PolarHBondContact O-N 2.85Å; L224-V227 PolarHBondContact O-N 3.1Å; V227-A229 VanDerWaalsContact C-N 3.33Å; V227-A229 PolarHBondContact O-N 3.33Å; V227-I230 PolarHBondContact O-N 3.04Å; V227-T231 HydrophobicContact CG1-CG2 4.42Å; V227-T231 WeakPolarHBondContact O-CG2 3.11Å; V227-T231 PolarHBondContact O-N 3.38Å; V227-T231 PolarHBondContact O-OG1 2.66Å; V227-T231 VanDerWaalsContact O-OG1 3.07Å |
| 228 | S | 90.5 | Very high | 85.2 | Confident | 68 Ų | 68 | 96 Ų | 96 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.9 | -43 | 176.4 | -172.5 | 0 | 0 | 0 | 0 | 112.1 | L224 Y225 T231 L232 | L224-S228 VanDerWaalsContact O-CB 3.27Å; L224-S228 WeakPolarHBondContact O-CB 3.29Å; L224-S228 PolarHBondContact O-N 2.88Å; Y225-S228 PolarHBondContact O-N 3.29Å; S228-T231 WeakPolarHBondContact CA-OG1 3.37Å; S228-T231 PolarHBondContact O-N 3.14Å; S228-T231 PolarHBondContact O-OG1 2.78Å; S228-L232 WeakPolarHBondContact O-CB 3.3Å; S228-L232 PolarHBondContact O-N 2.76Å |
| 229 | A | 93.1 | Very high | 85.9 | Confident | 60 Ų | 60 | 97.3 Ų | 97.3 | 50% | 0.496 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.6 | -45.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y225 V226 V227 L232 L233 | Y225-A229 WeakPolarHBondContact O-CB 3.44Å; Y225-A229 PolarHBondContact O-N 3.12Å; V226-A229 PolarHBondContact O-N 2.96Å; V227-A229 VanDerWaalsContact C-N 3.33Å; V227-A229 PolarHBondContact O-N 3.33Å; A229-L232 PolarHBondContact O-N 2.62Å; A229-L233 WeakPolarHBondContact O-CB 3.37Å; A229-L233 PolarHBondContact O-N 3.43Å |
| 230 | I | 92.9 | Very high | 86.5 | Confident | 96 Ų | 96 | 96.8 Ų | 96.8 | 49% | 0.492 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 177 | -67.3 | 165.6 | 0 | 0 | 0 | 110.8 | V226 V227 L232 L233 L234 | V226-I230 HydrophobicContact CG1-CD1 3.82Å; V226-I230 VanDerWaalsContact O-CG1 3.32Å; V226-I230 WeakPolarHBondContact O-CG1 3.37Å; V226-I230 PolarHBondContact O-N 3.15Å; V227-I230 PolarHBondContact O-N 3.04Å; I230-L232 VanDerWaalsContact C-N 3.35Å; I230-L232 PolarHBondContact O-N 3.12Å; I230-L233 PolarHBondContact O-N 2.91Å; I230-L234 HydrophobicContact CG2-CD1 4.05Å; I230-L234 HydrophobicContact CG2-CG 4.44Å; I230-L234 WeakPolarHBondContact O-CG 3.38Å; I230-L234 PolarHBondContact O-N 3.36Å |
| 231 | T | 92.8 | Very high | 86.5 | Confident | 77 Ų | 77 | 93 Ų | 93 | 47% | 0.472 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 178.8 | 50 | 0 | 0 | 0 | 0 | 112.4 | V227 S228 L234 L235 | V227-T231 HydrophobicContact CG1-CG2 4.42Å; V227-T231 WeakPolarHBondContact O-CG2 3.11Å; V227-T231 PolarHBondContact O-N 3.38Å; V227-T231 PolarHBondContact O-OG1 2.66Å; V227-T231 VanDerWaalsContact O-OG1 3.07Å; S228-T231 WeakPolarHBondContact CA-OG1 3.37Å; S228-T231 PolarHBondContact O-N 3.14Å; S228-T231 PolarHBondContact O-OG1 2.78Å; T231-L234 PolarHBondContact O-N 2.74Å; T231-L235 WeakPolarHBondContact O-CB 3.43Å; T231-L235 PolarHBondContact O-N 3.23Å |
| 232 | L | 93.4 | Very high | 86.1 | Confident | 114 Ų | 114 | 94.9 Ų | 94.9 | 60% | 0.597 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67 | -40.4 | 177 | -171.9 | 146.8 | 0 | 0 | 0 | 111.3 | S228 A229 I230 L235 V236 | S228-L232 WeakPolarHBondContact O-CB 3.3Å; S228-L232 PolarHBondContact O-N 2.76Å; A229-L232 PolarHBondContact O-N 2.62Å; I230-L232 VanDerWaalsContact C-N 3.35Å; I230-L232 PolarHBondContact O-N 3.12Å; L232-L235 WeakPolarHBondContact O-CB 3.33Å; L232-L235 PolarHBondContact O-N 2.9Å; L232-V236 HydrophobicContact CD2-CG2 4.3Å; L232-V236 WeakPolarHBondContact O-CG2 3.29Å; L232-V236 PolarHBondContact O-N 3.15Å |
| 233 | L | 92.8 | Very high | 85.5 | Confident | 115 Ų | 115 | 98.1 Ų | 98.1 | 60% | 0.602 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.2 | -42.1 | 177.8 | -152.8 | 160.8 | 0 | 0 | 0 | 111.4 | A229 I230 L235 V236 V237 | A229-L233 WeakPolarHBondContact O-CB 3.37Å; A229-L233 PolarHBondContact O-N 3.43Å; I230-L233 PolarHBondContact O-N 2.91Å; L233-L235 VanDerWaalsContact C-N 3.34Å; L233-L235 PolarHBondContact O-N 2.83Å; L233-V236 PolarHBondContact O-N 3.33Å; L233-V237 HydrophobicContact CD2-CG2 4.18Å; L233-V237 WeakPolarHBondContact O-CG2 3.39Å; L233-V237 PolarHBondContact O-N 3.26Å |
| 234 | L | 89.7 | Confident | 84.5 | Confident | 102 Ų | 102 | 102.8 Ų | 102.8 | 53% | 0.534 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.2 | -41.9 | 171.8 | -72.6 | 170.8 | 0 | 0 | 0 | 112.2 | I230 T231 V237 I238 | I230-L234 HydrophobicContact CG2-CD1 4.05Å; I230-L234 HydrophobicContact CG2-CG 4.44Å; I230-L234 WeakPolarHBondContact O-CG 3.38Å; I230-L234 PolarHBondContact O-N 3.36Å; T231-L234 PolarHBondContact O-N 2.74Å; L234-V237 PolarHBondContact O-N 3.01Å; L234-I238 WeakPolarHBondContact O-CG1 3.42Å; L234-I238 PolarHBondContact O-N 3.25Å |
| 235 | L | 89.4 | Confident | 83.1 | Confident | 107 Ų | 107 | 100.5 Ų | 100.5 | 56% | 0.56 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.6 | -42.3 | 178.9 | -145.4 | 163.7 | 0 | 0 | 0 | 111.1 | T231 L232 L233 I238 L239 | T231-L235 WeakPolarHBondContact O-CB 3.43Å; T231-L235 PolarHBondContact O-N 3.23Å; L232-L235 WeakPolarHBondContact O-CB 3.33Å; L232-L235 PolarHBondContact O-N 2.9Å; L233-L235 VanDerWaalsContact C-N 3.34Å; L233-L235 PolarHBondContact O-N 2.83Å; L235-I238 PolarHBondContact O-N 3.43Å; L235-L239 HydrophobicContact CD2-CD1 3.73Å; L235-L239 HydrophobicContact CD2-CG 4.08Å; L235-L239 WeakPolarHBondContact O-CG 3.21Å; L235-L239 PolarHBondContact O-N 2.74Å |
| 236 | V | 90.3 | Very high | 81.6 | Confident | 70 Ų | 70 | 100 Ų | 100 | 42% | 0.424 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 172.7 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | L232 L233 I238 L239 L240 | L232-V236 HydrophobicContact CD2-CG2 4.3Å; L232-V236 WeakPolarHBondContact O-CG2 3.29Å; L232-V236 PolarHBondContact O-N 3.15Å; L233-V236 PolarHBondContact O-N 3.33Å; V236-I238 PolarHBondContact O-N 2.69Å; V236-L239 PolarHBondContact O-N 3.22Å; V236-L240 HydrophobicContact CG1-CD1 3.92Å; V236-L240 HydrophobicContact CG1-CG 4.4Å; V236-L240 WeakPolarHBondContact O-CG 3.28Å; V236-L240 PolarHBondContact O-N 3.29Å |
| 237 | V | 87.4 | Confident | 80.1 | Confident | 80 Ų | 80 | 102 Ų | 102 | 49% | 0.485 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 177.1 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | L233 L234 L240 H241 | L233-V237 HydrophobicContact CD2-CG2 4.18Å; L233-V237 WeakPolarHBondContact O-CG2 3.39Å; L233-V237 PolarHBondContact O-N 3.26Å; L234-V237 PolarHBondContact O-N 3.01Å; V237-L240 PolarHBondContact O-N 2.95Å; V237-H241 WeakPolarHBondContact O-CB 3.33Å; V237-H241 PolarHBondContact O-N 2.86Å |
| 238 | I | 83.6 | Confident | 78.5 | Confident | 100 Ų | 100 | 104.7 Ų | 104.7 | 51% | 0.513 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 176.7 | -68.7 | 164.3 | 0 | 0 | 0 | 111.1 | L234 L235 V236 H241 N242 | L234-I238 WeakPolarHBondContact O-CG1 3.42Å; L234-I238 PolarHBondContact O-N 3.25Å; L235-I238 PolarHBondContact O-N 3.43Å; V236-I238 PolarHBondContact O-N 2.69Å; I238-H241 PolarHBondContact O-N 2.8Å; I238-N242 WeakPolarHBondContact O-CB 3.02Å; I238-N242 VanDerWaalsContact O-CG 3.25Å; I238-N242 PolarHBondContact O-N 3.08Å; I238-N242 PolarHBondContact O-ND2 3.09Å |
| 239 | L | 80.8 | Confident | 76.7 | Confident | 98 Ų | 98 | 108.1 Ų | 108.1 | 51% | 0.513 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.8 | -47.5 | 176.4 | -72 | 170.1 | 0 | 0 | 0 | 111.7 | L235 V236 H241 N242 E243 | L235-L239 HydrophobicContact CD2-CD1 3.73Å; L235-L239 HydrophobicContact CD2-CG 4.08Å; L235-L239 WeakPolarHBondContact O-CG 3.21Å; L235-L239 PolarHBondContact O-N 2.74Å; V236-L239 PolarHBondContact O-N 3.22Å; L239-H241 VanDerWaalsContact C-N 3.29Å; L239-H241 PolarHBondContact O-N 2.89Å; L239-N242 PolarHBondContact O-N 2.99Å; L239-E243 PolarHBondContact O-N 3.02Å |
| 240 | L | 78.6 | Confident | 74.8 | Confident | 97 Ų | 97 | 111.3 Ų | 111.3 | 51% | 0.508 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62 | -35.9 | 175.9 | -70.3 | 171.7 | 0 | 0 | 0 | 112.3 | V236 V237 R244 | V236-L240 HydrophobicContact CG1-CD1 3.92Å; V236-L240 HydrophobicContact CG1-CG 4.4Å; V236-L240 WeakPolarHBondContact O-CG 3.28Å; V236-L240 PolarHBondContact O-N 3.29Å; V237-L240 PolarHBondContact O-N 2.95Å; L240-R244 WeakPolarHBondContact O-CB 3.01Å; L240-R244 WeakPolarHBondContact O-CG 3.35Å; L240-R244 PolarHBondContact O-N 2.88Å |
| 241 | H | 72 | Confident | 72.7 | Confident | 116 Ų | 116 | 111.6 Ų | 111.6 | 54% | 0.537 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69.1 | -40.8 | 175.3 | -162.7 | 56.7 | 0 | 0 | 0 | 111.6 | V237 I238 L239 E243 R244 I245 | V237-H241 WeakPolarHBondContact O-CB 3.33Å; V237-H241 PolarHBondContact O-N 2.86Å; I238-H241 PolarHBondContact O-N 2.8Å; L239-H241 VanDerWaalsContact C-N 3.29Å; L239-H241 PolarHBondContact O-N 2.89Å; H241-E243 PolarHBondContact O-N 2.9Å; H241-R244 PolarHBondContact O-N 3.42Å; H241-I245 WeakPolarHBondContact O-CB 3.48Å; H241-I245 VanDerWaalsContact O-CG1 3.26Å; H241-I245 WeakPolarHBondContact O-CG1 3.03Å; H241-I245 PolarHBondContact O-N 2.98Å |
| 242 | N | 66.6 | Low | 71 | Confident | 84 Ų | 84 | 114 Ų | 114 | 45% | 0.449 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.6 | -36.4 | 175.6 | -72 | -25 | 0 | 0 | 0 | 112.7 | I238 L239 K246 | I238-N242 WeakPolarHBondContact O-CB 3.02Å; I238-N242 VanDerWaalsContact O-CG 3.25Å; I238-N242 PolarHBondContact O-N 3.08Å; I238-N242 PolarHBondContact O-ND2 3.09Å; L239-N242 PolarHBondContact O-N 2.99Å; N242-K246 PolarHBondContact O-N 2.8Å |
| 243 | E | 64.7 | Low | 68.5 | Low | 125 Ų | 125 | 116.1 Ų | 116.1 | 58% | 0.584 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.8 | -45.9 | 170.2 | -72.7 | -167.8 | 157.7 | 0 | 0 | 111.7 | L239 H241 I245 K246 I247 | L239-E243 PolarHBondContact O-N 3.02Å; H241-E243 PolarHBondContact O-N 2.9Å; E243-I245 VanDerWaalsContact C-N 3.3Å; E243-I245 PolarHBondContact O-N 2.89Å; E243-K246 PolarHBondContact O-N 3.17Å; E243-I247 WeakPolarHBondContact O-CD1 3.39Å; E243-I247 VanDerWaalsContact O-CG1 3.29Å; E243-I247 WeakPolarHBondContact O-CG1 3.47Å; E243-I247 PolarHBondContact O-N 3.36Å |
| 244 | R | 60.9 | Low | 66.2 | Low | 187 Ų | 187 | 116.1 Ų | 116.1 | 71% | 0.706 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -58.7 | -39.4 | 175 | -72.7 | -87 | -178.6 | 159.7 | -0.9 | 112.2 | L240 H241 I247 I248 | L240-R244 WeakPolarHBondContact O-CB 3.01Å; L240-R244 WeakPolarHBondContact O-CG 3.35Å; L240-R244 PolarHBondContact O-N 2.88Å; H241-R244 PolarHBondContact O-N 3.42Å; R244-I247 PolarHBondContact O-N 3.08Å; R244-I248 WeakPolarHBondContact O-CG1 3.11Å; R244-I248 PolarHBondContact O-N 2.92Å |
| 245 | I | 57.1 | Low | 64 | Low | 74 Ų | 74 | 121 Ų | 121 | 38% | 0.379 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -66.9 | -44.8 | 175.1 | -70 | 163.7 | 0 | 0 | 0 | 111 | H241 E243 I247 I248 L249 | H241-I245 WeakPolarHBondContact O-CB 3.48Å; H241-I245 VanDerWaalsContact O-CG1 3.26Å; H241-I245 WeakPolarHBondContact O-CG1 3.03Å; H241-I245 PolarHBondContact O-N 2.98Å; E243-I245 VanDerWaalsContact C-N 3.3Å; E243-I245 PolarHBondContact O-N 2.89Å; I245-I247 VanDerWaalsContact C-N 3.26Å; I245-I247 PolarHBondContact O-N 2.83Å; I245-I248 PolarHBondContact O-N 2.9Å; I245-L249 PolarHBondContact O-N 3.28Å |
| 246 | K | 57 | Low | 61.7 | Low | 163 Ų | 163 | 121.8 Ų | 121.8 | 71% | 0.709 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -59.7 | -35 | 176.1 | -86.9 | -173.6 | 173.1 | -178.4 | 0 | 113.1 | N242 E243 I248 | N242-K246 PolarHBondContact O-N 2.8Å; E243-K246 PolarHBondContact O-N 3.17Å; K246-I248 VanDerWaalsContact C-N 3.34Å |
| 247 | I | 56.7 | Low | 59.3 | Low | 128 Ų | 128 | 123 Ų | 123 | 66% | 0.656 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -73.4 | -25.1 | 179.8 | -67.4 | 163 | 0 | 0 | 0 | 112.2 | E243 R244 I245 | E243-I247 WeakPolarHBondContact O-CD1 3.39Å; E243-I247 VanDerWaalsContact O-CG1 3.29Å; E243-I247 WeakPolarHBondContact O-CG1 3.47Å; E243-I247 PolarHBondContact O-N 3.36Å; R244-I247 PolarHBondContact O-N 3.08Å; I245-I247 VanDerWaalsContact C-N 3.26Å; I245-I247 PolarHBondContact O-N 2.83Å |
| 248 | I | 57.7 | Low | 57.1 | Low | 138 Ų | 138 | 127.2 Ų | 127.2 | 71% | 0.708 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -84.4 | -27.9 | -179.5 | -68.5 | 167.5 | 0 | 0 | 0 | 112.6 | R244 I245 K246 | R244-I248 WeakPolarHBondContact O-CG1 3.11Å; R244-I248 PolarHBondContact O-N 2.92Å; I245-I248 PolarHBondContact O-N 2.9Å; K246-I248 VanDerWaalsContact C-N 3.34Å |
| 249 | L | 53.3 | Low | 55.1 | Low | 139 Ų | 139 | 129.6 Ų | 129.6 | 73% | 0.728 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -85.7 | -3 | -175.7 | -109 | 84.2 | 0 | 0 | 0 | 115.8 | I245 | I245-L249 PolarHBondContact O-N 3.28Š|
| 250 | I | 52.3 | Low | 53.5 | Low | 127 Ų | 127 | 130.4 Ų | 130.4 | 65% | 0.651 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -110.3 | 103.9 | -179.7 | -55.8 | 175.2 | 0 | 0 | 0 | 108.8 | ||
| 251 | P | 50.7 | Low | 51.9 | Low | 102 Ų | 102 | 131.3 Ų | 131.3 | 66% | 0.662 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 142.5 | 174.5 | 27.6 | -33.5 | 0 | 0 | 0 | 110.3 | L253 | P251-L253 PolarHBondContact O-N 2.58Š|
| 252 | P | 55.1 | Low | 50.4 | Low | 129 Ų | 129 | 132.7 Ų | 132.7 | 84% | 0.838 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 116.5 | -176.8 | 26.2 | -33.7 | 0 | 0 | 0 | 111.3 | ||
| 253 | L | 42.7 | Very low | 49.4 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 83% | 0.827 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -65 | 134.7 | 169.7 | -76.7 | 160.5 | 0 | 0 | 0 | 110 | P251 | P251-L253 PolarHBondContact O-N 2.58Š|
| 254 | P | 43.6 | Very low | 48.5 | Very low | 114 Ų | 114 | 136 Ų | 136 | 74% | 0.74 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 135.1 | -177.4 | 27.1 | -34 | 0 | 0 | 0 | 111.4 | P256 | P254-P256 WeakPolarHBondContact O-CD 3.42Š|
| 255 | K | 42.9 | Very low | 47.9 | Very low | 204 Ų | 204 | 133.8 Ų | 133.8 | 89% | 0.887 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -69 | 122.4 | 177.8 | -66.5 | 178.3 | 179 | 177.8 | 0 | 110.8 | ||
| 256 | P | 41.6 | Very low | 47.4 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 146.9 | 163 | -11.1 | 27.6 | 0 | 0 | 0 | 110.1 | P254 | P254-P256 WeakPolarHBondContact O-CD 3.42Š|
| 257 | A | 40.2 | Very low | 46.7 | Very low | 95 Ų | 95 | 140.3 Ų | 140.3 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -72 | 145.5 | -174 | 0 | 0 | 0 | 0 | 0 | 113.3 | N259 | A257-N259 PolarHBondContact O-N 2.66Š|
| 258 | L | 41.7 | Very low | 46 | Very low | 168 Ų | 168 | 142.1 Ų | 142.1 | 88% | 0.88 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 116.3 | 172.3 | -177.9 | 81 | 0 | 0 | 0 | 110.5 | ||
| 259 | N | 39.8 | Very low | 45.2 | Very low | 150 Ų | 150 | 144.1 Ų | 144.1 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | -143.9 | 111.9 | 159.2 | -83.3 | -37.9 | 0 | 0 | 0 | 107.7 | A257 P261 | A257-N259 PolarHBondContact O-N 2.66Å; N259-P261 WeakPolarHBondContact O-CD 3.08Å | ||
| 260 | S | 48.4 | Very low | 44.7 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | trans | -73 | 136.4 | 178 | 52.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 261 | P | 44.5 | Very low | 44.1 | Very low | 115 Ų | 115 | 147.2 Ų | 147.2 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | -128.1 | 148 | 128.6 | 34.8 | -26.2 | 0 | 0 | 0 | 112.3 | N259 | N259-P261 WeakPolarHBondContact O-CD 3.08Š| |||
| 262 | D | 39.9 | Very low | 43.9 | Very low | 145 Ų | 145 | 145.6 Ų | 145.6 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | 18.6 | 113.9 | 158.9 | -109.7 | -27 | 0 | 0 | 0 | 119.4 | E264 | D262-E264 PolarHBondContact O-N 3.27Š| ||
| 263 | V | 45.6 | Very low | 43.3 | Very low | 121 Ų | 121 | 147.6 Ų | 147.6 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | 24.6 | 172.3 | -160.6 | 0 | 0 | 0 | 0 | 111.5 | ||
| 264 | E | 46.7 | Very low | 43.4 | Very low | 159 Ų | 159 | 147.3 Ų | 147.3 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -14.4 | -179 | -161 | 60.5 | -164.3 | 0 | 0 | 112.7 | D262 | D262-E264 PolarHBondContact O-N 3.27Š|
| 265 | D | 47.5 | Very low | 43.2 | Very low | 139 Ų | 139 | 150.9 Ų | 150.9 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -97.5 | -4 | -173.2 | -125.5 | 16.5 | 0 | 0 | 0 | 114.8 | ||
| 266 | W | 47.2 | Very low | 43.2 | Very low | 218 Ų | 218 | 150 Ų | 150 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -91.7 | -19.4 | -177.8 | -151.9 | -71.2 | 0 | 0 | 0 | 114.2 | ||
| 267 | F | 43.4 | Very low | 42.9 | Very low | 157 Ų | 157 | 155.3 Ų | 155.3 | 69% | 0.689 | 81% | 0.806 | S | S | * | * | trans | -110.2 | 53.1 | -175.5 | -75.1 | -72.9 | 0 | 0 | 0 | 114.5 | F269 | F267-F269 PolarHBondContact O-N 3.25Š| ||
| 268 | H | 40.2 | Very low | 43 | Very low | 166 Ų | 166 | 160.9 Ų | 160.9 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | -69.9 | 66.9 | 157 | -86.1 | -65.9 | 0 | 0 | 0 | 111.9 | ||||
| 269 | F | 42.1 | Very low | 42.8 | Very low | 180 Ų | 180 | 159.3 Ų | 159.3 | 79% | 0.789 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -99 | 131.9 | 160 | -96.4 | -82.4 | 0 | 0 | 0 | 110.7 | F267 K271 | F267-F269 PolarHBondContact O-N 3.25Å; F269-K271 PolarHBondContact O-N 2.96Å |
| 270 | S | 42.8 | Very low | 42.8 | Very low | 113 Ų | 113 | 158.3 Ų | 158.3 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 128.1 | -169.6 | 50.9 | 0 | 0 | 0 | 0 | 113.5 | G272 | S270-G272 PolarHBondContact O-N 2.67Š|
| 271 | K | 38.5 | Very low | 42.4 | Very low | 218 Ų | 218 | 159.1 Ų | 159.1 | 95% | 0.948 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -56 | 118.4 | 166.7 | -75.4 | 171.4 | 174.7 | 168.2 | 0 | 110.7 | F269 | F269-K271 PolarHBondContact O-N 2.96Š|
| 272 | G | 47.9 | Very low | 42.2 | Very low | 67 Ų | 67 | 162.9 Ų | 162.9 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | trans | 139.9 | 71.5 | 160.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | S270 | S270-G272 PolarHBondContact O-N 2.67Š| ||
| 273 | L | 41.3 | Very low | 42.4 | Very low | 171 Ų | 171 | 163.1 Ų | 163.1 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -178.4 | 29.5 | 145.8 | -102 | 161.5 | 0 | 0 | 0 | 114.2 | ||
| 274 | V | 44.9 | Very low | 42.7 | Very low | 152 Ų | 152 | 166.6 Ų | 166.6 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -113.4 | 49.8 | 176.1 | -164.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 275 | K | 40.9 | Very low | 42.9 | Very low | 189 Ų | 189 | 170.3 Ų | 170.3 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -137.8 | 132.9 | 169.6 | -160.9 | 172.7 | -177.6 | -179.1 | 0 | 107.2 | ||
| 276 | E | 42.3 | Very low | 42.8 | Very low | 185 Ų | 185 | 168.6 Ų | 168.6 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | S | Bend | trans | 76.4 | 67.1 | -174.7 | -51.5 | -170.5 | 161.4 | 0 | 0 | 117.8 | ||
| 277 | R | 36 | Very low | 42.6 | Very low | 238 Ų | 238 | 164 Ų | 164 | 90% | 0.898 | 83% | 0.827 | S | S | * | * | trans | -159.2 | 3.9 | 136 | -122.7 | 179.6 | -168.4 | -174.9 | 4.4 | 120.1 | ||||
| 278 | F | 41.3 | Very low | 42.9 | Very low | 211 Ų | 211 | 163.1 Ų | 163.1 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | trans | -101.4 | 86.1 | 172 | -71.1 | -75 | 0 | 0 | 0 | 111.4 | ||||
| 279 | N | 37.6 | Very low | 43.1 | Very low | 135 Ų | 135 | 161.9 Ų | 161.9 | 72% | 0.722 | 84% | 0.838 | S | S | * | * | trans | -151.7 | 81.2 | 164.3 | -163.8 | 1.1 | 0 | 0 | 0 | 110 | ||||
| 280 | T | 40.2 | Very low | 43.4 | Very low | 130 Ų | 130 | 164.4 Ų | 164.4 | 80% | 0.798 | 84% | 0.842 | S | S | * | * | trans | -110.5 | 74.9 | 174.5 | 50.8 | 0 | 0 | 0 | 0 | 109.9 | F282 | T280-F282 PolarHBondContact O-N 3.45Š| ||
| 281 | N | 38.7 | Very low | 43.5 | Very low | 133 Ų | 133 | 167.8 Ų | 167.8 | 71% | 0.711 | 85% | 0.846 | S | S | * | * | trans | -76.3 | 96.2 | 163.8 | -105.4 | -43 | 0 | 0 | 0 | 108.9 | ||||
| 282 | F | 40.3 | Very low | 43.5 | Very low | 193 Ų | 193 | 168.4 Ų | 168.4 | 85% | 0.846 | 84% | 0.844 | S | S | * | * | trans | -135 | 107 | 166.6 | -98.1 | -84.7 | 0 | 0 | 0 | 110.2 | T280 | T280-F282 PolarHBondContact O-N 3.45Š| ||
| 283 | N | 45.6 | Very low | 43.3 | Very low | 151 Ų | 151 | 173.8 Ų | 173.8 | 81% | 0.807 | 85% | 0.851 | S | S | * | * | trans | -85 | 111 | 168.1 | -72.4 | -25.6 | 0 | 0 | 0 | 108.5 | ||||
| 284 | E | 51.4 | Low | 43.4 | Very low | 194 Ų | 194 | 171.4 Ų | 171.4 | 91% | 0.907 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 137.5 | 164.4 | -72.9 | -170.2 | 141.6 | 0 | 0 | 110.2 | ||
| 285 | R | 49.9 | Very low | 43.1 | Very low | 236 Ų | 236 | 170.8 Ų | 170.8 | 89% | 0.891 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 126.8 | 171.4 | -69.4 | -177.3 | 178.1 | -179.9 | -0.5 | 108.7 | C287 | R285-C287 PolarHBondContact O-N 2.61Š|
| 286 | A | 45.8 | Very low | 42.9 | Very low | 103 Ų | 103 | 167 Ų | 167 | 85% | 0.851 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 127.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 287 | C | 44.2 | Very low | 42.7 | Very low | 122 Ų | 122 | 169.6 Ų | 169.6 | 82% | 0.824 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 130.8 | 170.3 | -65.9 | 0 | 0 | 0 | 0 | 110.3 | R285 | R285-C287 PolarHBondContact O-N 2.61Š|
| 288 | T | 48.6 | Very low | 42.7 | Very low | 139 Ų | 139 | 162.8 Ų | 162.8 | 85% | 0.853 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 122 | 171.9 | 34.2 | 0 | 0 | 0 | 0 | 110.7 | R290 | T288-R290 PolarHBondContact O-N 2.88Š|
| 289 | V | 45.6 | Very low | 42.3 | Very low | 140 Ų | 140 | 159.8 Ų | 159.8 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 129.1 | 171.1 | 179.9 | 0 | 0 | 0 | 0 | 108.8 | ||
| 290 | R | 47.2 | Very low | 42.1 | Very low | 232 Ų | 232 | 159.2 Ų | 159.2 | 88% | 0.875 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 129.9 | 166.8 | -89 | -171.2 | 170 | -168 | -2.8 | 109.7 | T288 | T288-R290 PolarHBondContact O-N 2.88Š|
| 291 | E | 46 | Very low | 41.9 | Very low | 184 Ų | 184 | 161.3 Ų | 161.3 | 86% | 0.86 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 147.2 | 166.5 | -64 | -178.8 | 152.6 | 0 | 0 | 110.5 | ||
| 292 | Y | 37.9 | Very low | 41.6 | Very low | 231 Ų | 231 | 158.8 Ų | 158.8 | 91% | 0.906 | 84% | 0.842 | S | S | * | * | trans | -85 | 108.2 | 172.5 | -101.6 | -96.1 | 0 | 0 | 0 | 109.8 | ||||
| 293 | Q | 44.5 | Very low | 41.3 | Very low | 180 Ų | 180 | 154.5 Ų | 154.5 | 84% | 0.841 | 84% | 0.836 | S | S | * | * | trans | -80.7 | 133.9 | 164.6 | -93.5 | 177.2 | -93.2 | 0 | 0 | 110.5 | ||||
| 294 | P | 42 | Very low | 40.7 | Very low | 121 Ų | 121 | 154.2 Ų | 154.2 | 79% | 0.786 | 84% | 0.835 | S | S | * | * | trans | -70.6 | 137.2 | 173.4 | 29.2 | -33.3 | 0 | 0 | 0 | 110.8 | S296 | P294-S296 PolarHBondContact O-N 3.34Š| ||
| 295 | V | 39.9 | Very low | 39.7 | Very low | 140 Ų | 140 | 150.2 Ų | 150.2 | 85% | 0.848 | 83% | 0.828 | S | S | * | * | trans | -76.9 | 115.1 | -179.1 | 176.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 296 | S | 35.8 | Very low | 38.9 | Very low | 108 Ų | 108 | 144.2 Ų | 144.2 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | trans | -75.3 | 131.6 | 161.8 | 46.3 | 0 | 0 | 0 | 0 | 110.1 | P294 | P294-S296 PolarHBondContact O-N 3.34Š| ||
| 297 | R | 39.1 | Very low | 38.2 | Very low | 240 Ų | 240 | 150.5 Ų | 150.5 | 91% | 0.906 | 82% | 0.824 | S | S | * | * | trans | -116.6 | 85.4 | 177 | -171.1 | 175.3 | -179.7 | 157.7 | 1.3 | 111.3 | ||||
| 298 | S | 34.4 | Very low | 37.6 | Very low | 95 Ų | 95 | 151.2 Ų | 151.2 | 66% | 0.664 | 82% | 0.819 | S | S | * | * | trans | -156.8 | 133.9 | 175.6 | -69.7 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 299 | D | 33.6 | Very low | 36.9 | Very low | 149 Ų | 149 | 150 Ų | 150 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | cis | -151.3 | 175.4 | 3.4 | -66.1 | -53.8 | 0 | 0 | 0 | 109 | ||||
| 300 | S | 34.3 | Very low | 36.2 | Very low | 122 Ų | 122 | 149 Ų | 149 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | 170.1 | 147.2 | 118.4 | 44.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 301 | N | 36.1 | Very low | 35.4 | Very low | 174 Ų | 174 | 141.9 Ų | 141.9 | 93% | 0.93 | 80% | 0.797 | S | S | * | * | trans | -80.8 | 155.6 | -179.6 | -68.1 | -31.6 | 0 | 0 | 0 | 113.3 | ||||
| 302 | G | 31.2 | Very low | 34.7 | Very low | 81 Ų | 81 | 139 Ų | 139 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | -158.7 | 133.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 303 | S | 34.3 | Very low | 34.3 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | -112 | 165.8 | -156.3 | 65 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 304 | D | 32.4 | Very low | 33.6 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | trans | 82.3 | 114.3 | 148.3 | -61.3 | -44.9 | 0 | 0 | 0 | 123.5 | ||||
| 305 | S | 31.9 | Very low | 33.2 | Very low | 109 Ų | 109 | 134 Ų | 134 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | 72.4 | 106.6 | 128.5 | -159.3 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 306 | S | 32.5 | Very low | 32.5 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | 173.4 | 148.7 | 86.3 | 46.6 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 307 | R | 30.4 | Very low | 32.1 | Very low | 235 Ų | 235 | 135.2 Ų | 135.2 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | trans | -10.6 | 150.1 | 159.2 | -62.4 | 168.3 | 151.3 | 133.1 | -5.6 | 117.6 | ||||
| 308 | L | 31.4 | Very low | 31.6 | Very low | 137 Ų | 137 | 129.2 Ų | 129.2 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | cis | -174 | 150.9 | 43.2 | -167.4 | 59.5 | 0 | 0 | 0 | 113.6 | ||||
| 309 | T | 34.9 | Very low | 31.6 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | trans | 61.3 | 143.5 | 154.7 | 48 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 310 | T | 30.5 | Very low | 31.6 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | cis | -167.2 | 142 | -3.7 | -88.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 311 | A | 29.2 | Very low | 31.5 | Very low | 84 Ų | 84 | 133.4 Ų | 133.4 | 69% | 0.694 | 78% | 0.784 | S | S | * | * | trans | 54.2 | 148 | 156.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 312 | T | 33 | Very low | 31.2 | Very low | 123 Ų | 123 | 129.4 Ų | 129.4 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | cis | -156.5 | 164.2 | 3.7 | 0.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 313 | D | 29.4 | Very low | 31.2 | Very low | 136 Ų | 136 | 134.2 Ų | 134.2 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | cis | -152.7 | -179.7 | 9.1 | -141.6 | -24.8 | 0 | 0 | 0 | 113.3 | ||||
| 314 | Q | 30 | Very low | 31 | Very low | 166 Ų | 166 | 137.4 Ų | 137.4 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -67.5 | 166.8 | 164.3 | -83.3 | 171 | -24.9 | 0 | 0 | 113.9 | ||||
| 315 | T | 32.2 | Very low | 31.1 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | cis | -148.6 | 150.2 | 15.5 | 13.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 316 | D | 26 | Very low | 31.8 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | -82.6 | 150.7 | 150.9 | -100.7 | -45.8 | 0 | 0 | 0 | 110.4 | ||||
| 317 | C | 27.5 | Very low | 31.8 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | 171.2 | 124.8 | 128.4 | -99 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 318 | S | 29 | Very low | 31.9 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | 23.4 | 127.7 | 129.9 | -46.1 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 319 | I | 34.3 | Very low | 31.9 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -107.4 | 135.3 | 162.5 | -66.1 | 179.1 | 0 | 0 | 0 | 109.9 | ||||
| 320 | P | 33.9 | Very low | 31.8 | Very low | 118 Ų | 118 | 139.7 Ų | 139.7 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | trans | -91.8 | 174 | -178.9 | 37.1 | -36.6 | 0 | 0 | 0 | 114.7 | ||||
| 321 | I | 31.6 | Very low | 32 | Very low | 170 Ų | 170 | 138.5 Ų | 138.5 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | trans | -96.3 | 138.6 | 177.1 | -65.2 | 160 | 0 | 0 | 0 | 111.1 | ||||
| 322 | A | 30.4 | Very low | 32.8 | Very low | 90 Ų | 90 | 139.8 Ų | 139.8 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | trans | -160.8 | 119.2 | 146.9 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 323 | E | 30.5 | Very low | 32.6 | Very low | 181 Ų | 181 | 142.6 Ų | 142.6 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | 65.6 | 110 | 63.9 | -156.6 | 172.6 | -119.3 | 0 | 0 | 112.8 | |||||
| 324 | N | 29.3 | Very low | 32.8 | Very low | 171 Ų | 171 | 147.4 Ų | 147.4 | 91% | 0.914 | 82% | 0.816 | S | S | * | * | trans | -169.7 | 128.5 | 157.4 | -94.5 | -29 | 0 | 0 | 0 | 108.9 | ||||
| 325 | E | 34.9 | Very low | 32.8 | Very low | 184 Ų | 184 | 144 Ų | 144 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -126.9 | -171.4 | 169.2 | -145.4 | -157.3 | -170.4 | 0 | 0 | 108.3 | ||||
| 326 | P | 47.7 | Very low | 32.8 | Very low | 107 Ų | 107 | 144.7 Ų | 144.7 | 70% | 0.695 | 81% | 0.811 | S | S | * | * | -104.4 | 170.2 | -118.1 | 38.6 | -24.2 | 0 | 0 | 0 | 114.8 | |||||
| 327 | E | 32.2 | Very low | 33.1 | Very low | 194 Ų | 194 | 142.6 Ų | 142.6 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | trans | -130.6 | 130.4 | 164.4 | -86.6 | -168.6 | 144.9 | 0 | 0 | 113.1 | ||||
| 328 | D | 32.8 | Very low | 33.4 | Very low | 161 Ų | 161 | 144.9 Ų | 144.9 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | trans | -80 | 154.6 | 163.4 | -96.7 | -46.6 | 0 | 0 | 0 | 111 | ||||
| 329 | T | 31 | Very low | 33.5 | Very low | 141 Ų | 141 | 142.9 Ų | 142.9 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | -152.2 | 144.4 | 155 | -66.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 330 | S | 32.6 | Very low | 33.5 | Very low | 110 Ų | 110 | 139.5 Ų | 139.5 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -132.4 | 154.5 | -166.9 | 53.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 331 | A | 34.5 | Very low | 33.5 | Very low | 93 Ų | 93 | 141.7 Ų | 141.7 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | 70 | 169.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 332 | P | 46.6 | Very low | 33.6 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | cis | -130.8 | 169.7 | -8.9 | 17.5 | 8.2 | 0 | 0 | 0 | 117 | ||||
| 333 | F | 29 | Very low | 33.9 | Very low | 182 Ų | 182 | 144.6 Ų | 144.6 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | trans | 29.7 | 131.2 | 150 | -76.5 | -86.7 | 0 | 0 | 0 | 123.2 | ||||
| 334 | Y | 32.1 | Very low | 34.1 | Very low | 238 Ų | 238 | 144.1 Ų | 144.1 | 93% | 0.933 | 79% | 0.785 | S | S | * | * | -149.2 | 140.4 | 116.8 | -109.8 | -76.1 | 0 | 0 | 0 | 112 | |||||
| 335 | T | 31.4 | Very low | 34.4 | Very low | 95 Ų | 95 | 143.4 Ų | 143.4 | 58% | 0.583 | 78% | 0.776 | S | S | * | * | trans | -95.5 | 147.9 | 178 | -45 | 0 | 0 | 0 | 0 | 110.2 | V337 | T335-V337 HydrophobicContact CG2-CG2 4.36Š| ||
| 336 | T | 31.5 | Very low | 34.5 | Very low | 139 Ų | 139 | 141 Ų | 141 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -143.3 | 119.2 | 152.5 | -29 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 337 | V | 32.4 | Very low | 34.1 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 67% | 0.673 | 77% | 0.773 | S | S | * | * | trans | -93.2 | 139.3 | 170.1 | 171.4 | 0 | 0 | 0 | 0 | 107.5 | T335 A339 | T335-V337 HydrophobicContact CG2-CG2 4.36Å; V337-A339 HydrophobicContact CG1-CB 4.35Å | ||
| 338 | I | 34.6 | Very low | 34.9 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -124.9 | 135.2 | 150.2 | -62.3 | -178.1 | 0 | 0 | 0 | 106.3 | ||||
| 339 | A | 31.3 | Very low | 35 | Very low | 73 Ų | 73 | 140.6 Ų | 140.6 | 60% | 0.603 | 79% | 0.788 | S | S | * | * | trans | -127.5 | 163.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | V337 | V337-A339 HydrophobicContact CG1-CB 4.35Š| ||
| 340 | S | 33.2 | Very low | 35.2 | Very low | 95 Ų | 95 | 140.5 Ų | 140.5 | 66% | 0.664 | 78% | 0.784 | S | S | * | * | trans | 59.2 | 161 | 169.7 | 77.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 341 | E | 34.3 | Very low | 35.3 | Very low | 163 Ų | 163 | 142.2 Ų | 142.2 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | cis | -132.4 | 170.1 | -8.8 | -95.5 | 102.7 | 174.6 | 0 | 0 | 106.6 | ||||
| 342 | D | 32.9 | Very low | 35.4 | Very low | 145 Ų | 145 | 145.1 Ų | 145.1 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | cis | -153.5 | -172.6 | 6.3 | -144.3 | -26.5 | 0 | 0 | 0 | 111.3 | ||||
| 343 | E | 36.4 | Very low | 34.7 | Very low | 176 Ų | 176 | 147.3 Ų | 147.3 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | -70.3 | 159.7 | 162.8 | -56.7 | -179.9 | 110.3 | 0 | 0 | 113.5 | ||||
| 344 | Q | 34.7 | Very low | 35 | Very low | 172 Ų | 172 | 144.9 Ų | 144.9 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | 177.9 | 114.4 | 109.5 | -167.1 | 156.1 | 33 | 0 | 0 | 113.4 | |||||
| 345 | Q | 37.2 | Very low | 35.2 | Very low | 155 Ų | 155 | 138.3 Ų | 138.3 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | trans | 17.3 | 130.5 | 132.4 | -161 | 178.4 | 23.1 | 0 | 0 | 119.4 | ||||
| 346 | V | 36 | Very low | 35.5 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | -168.4 | 133.3 | 113.4 | 145.3 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 347 | S | 40 | Very low | 35.9 | Very low | 99 Ų | 99 | 141.8 Ų | 141.8 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | trans | -86 | 141.6 | 172.3 | 50.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 348 | V | 47.3 | Very low | 36.2 | Very low | 214 Ų | 214 | 144.6 Ų | 144.6 | 100% | 1.297 | 80% | 0.8 | S | S | * | * | trans | -137.5 | 0 | 137.4 | -178.6 | 0 | 0 | 0 | 0 | 107.6 |
Retrieved 348 of 348 residues in 236 ms
(Link to these results)